REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2o7e_1_E DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HFLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.611 176.600 0.018 0.000 0.988 8 K CA 0.000 56.298 56.287 0.019 0.000 0.838 8 K CB 0.000 32.513 32.500 0.022 0.000 1.064 9 P HA 0.172 nan 4.420 nan 0.000 0.268 9 P C -1.203 176.107 177.300 0.016 0.000 1.208 9 P CA -0.399 62.712 63.100 0.019 0.000 0.777 9 P CB 1.041 32.756 31.700 0.024 0.000 0.875 10 A N 1.984 124.812 122.820 0.013 0.000 2.371 10 A HA 0.523 4.843 4.320 -0.000 0.000 0.311 10 A C -0.640 176.948 177.584 0.008 0.000 1.068 10 A CA -0.718 51.324 52.037 0.009 0.000 0.744 10 A CB 1.423 20.427 19.000 0.007 0.000 1.239 10 A HN 0.325 nan 8.150 nan 0.000 0.435 11 V N 2.207 122.123 119.914 0.003 0.000 2.407 11 V HA 0.303 4.423 4.120 -0.000 0.000 0.278 11 V C 0.320 176.413 176.094 -0.002 0.000 1.037 11 V CA -0.296 62.005 62.300 0.001 0.000 0.900 11 V CB 1.291 33.110 31.823 -0.007 0.000 0.983 11 V HN 0.955 nan 8.190 nan 0.000 0.459 12 E N 4.489 124.690 120.200 0.002 0.000 2.081 12 E HA 0.391 4.741 4.350 -0.000 0.000 0.276 12 E C -1.025 175.576 176.600 0.001 0.000 0.950 12 E CA -0.785 55.616 56.400 0.002 0.000 0.776 12 E CB 1.289 30.993 29.700 0.007 0.000 1.094 12 E HN 0.571 nan 8.360 nan 0.000 0.402 13 L N 5.489 126.710 121.223 -0.004 0.000 2.260 13 L HA 0.292 4.632 4.340 -0.000 0.000 0.289 13 L C -0.166 176.706 176.870 0.003 0.000 1.057 13 L CA 0.409 55.246 54.840 -0.006 0.000 0.811 13 L CB 1.134 43.183 42.059 -0.017 0.000 1.184 13 L HN 0.704 nan 8.230 nan 0.000 0.429 14 D N 2.980 123.387 120.400 0.012 0.000 3.013 14 D HA 0.164 4.804 4.640 -0.000 0.000 0.256 14 D C 1.349 177.662 176.300 0.023 0.000 1.573 14 D CA 0.804 54.815 54.000 0.018 0.000 1.197 14 D CB 0.707 41.522 40.800 0.023 0.000 1.041 14 D HN 0.597 nan 8.370 nan 0.000 0.304 15 R N -1.758 118.767 120.500 0.042 0.000 2.243 15 R HA 0.192 4.532 4.340 -0.000 0.000 0.193 15 R C 0.173 176.526 176.300 0.089 0.000 0.933 15 R CA -0.131 56.001 56.100 0.054 0.000 1.105 15 R CB 0.677 31.010 30.300 0.056 0.000 1.169 15 R HN 0.214 nan 8.270 nan 0.000 0.599 16 H N -0.004 119.061 119.070 -0.008 0.000 2.572 16 H HA 0.553 5.109 4.556 -0.000 0.000 0.359 16 H C -1.502 173.822 175.328 -0.007 0.000 1.134 16 H CA -0.709 55.333 56.048 -0.010 0.000 1.187 16 H CB 1.562 31.318 29.762 -0.010 0.000 1.597 16 H HN -0.010 nan 8.280 nan 0.000 0.524 17 I N 4.158 124.377 120.570 -0.585 0.000 2.619 17 I HA 0.268 4.438 4.170 -0.000 0.000 0.292 17 I C -1.186 174.612 176.117 -0.533 0.000 1.100 17 I CA -0.850 60.234 61.300 -0.360 0.000 1.043 17 I CB 1.529 39.415 38.000 -0.190 0.000 1.239 17 I HN 0.849 nan 8.210 nan 0.000 0.420 18 D N 6.024 126.290 120.400 -0.224 0.000 2.423 18 D HA 0.224 4.864 4.640 -0.000 0.000 0.255 18 D C 1.006 177.271 176.300 -0.057 0.000 1.174 18 D CA -0.570 53.371 54.000 -0.098 0.000 1.008 18 D CB 0.961 41.790 40.800 0.048 0.000 1.101 18 D HN 0.499 nan 8.370 nan 0.000 0.516 19 L N -0.402 120.816 121.223 -0.008 0.000 2.079 19 L HA -0.149 4.190 4.340 -0.000 0.000 0.210 19 L C 1.514 178.425 176.870 0.068 0.000 1.081 19 L CA 1.414 56.269 54.840 0.026 0.000 0.752 19 L CB -0.492 41.594 42.059 0.044 0.000 0.896 19 L HN 0.442 nan 8.230 nan 0.000 0.433 20 D N -0.183 120.259 120.400 0.069 0.000 2.117 20 D HA -0.174 4.466 4.640 -0.000 0.000 0.198 20 D C 2.332 178.685 176.300 0.089 0.000 0.982 20 D CA 1.081 55.144 54.000 0.104 0.000 0.828 20 D CB -0.135 40.713 40.800 0.080 0.000 0.967 20 D HN 0.403 nan 8.370 nan 0.000 0.464 21 Q N 0.415 120.241 119.800 0.044 0.000 2.084 21 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 21 Q C 2.233 178.237 176.000 0.007 0.000 0.978 21 Q CA 1.390 57.206 55.803 0.022 0.000 0.844 21 Q CB -0.121 28.615 28.738 -0.003 0.000 0.898 21 Q HN 0.209 nan 8.270 nan 0.000 0.426 22 A N 0.912 123.732 122.820 -0.000 0.000 1.883 22 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 22 A C 1.968 179.544 177.584 -0.014 0.000 1.186 22 A CA 1.698 53.723 52.037 -0.019 0.000 0.624 22 A CB -0.888 18.099 19.000 -0.021 0.000 0.822 22 A HN 0.457 nan 8.150 nan 0.000 0.444 23 H N -0.082 118.950 119.070 -0.064 0.000 2.423 23 H HA 0.009 4.565 4.556 -0.000 0.000 0.297 23 H C 2.280 177.538 175.328 -0.116 0.000 1.075 23 H CA 1.436 57.411 56.048 -0.122 0.000 1.342 23 H CB -0.156 29.469 29.762 -0.227 0.000 1.395 23 H HN 0.416 nan 8.280 nan 0.000 0.530 24 A N 0.483 123.315 122.820 0.020 0.000 1.908 24 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 24 A C 2.835 180.388 177.584 -0.052 0.000 1.181 24 A CA 1.791 53.834 52.037 0.011 0.000 0.627 24 A CB -0.896 18.131 19.000 0.044 0.000 0.818 24 A HN 0.289 nan 8.150 nan 0.000 0.445 25 V N -0.298 119.575 119.914 -0.068 0.000 2.307 25 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 25 V C 3.067 179.071 176.094 -0.150 0.000 1.045 25 V CA 1.838 64.089 62.300 -0.082 0.000 1.024 25 V CB -1.315 30.464 31.823 -0.072 0.000 0.651 25 V HN 0.611 nan 8.190 nan 0.000 0.449 26 A N 0.896 123.588 122.820 -0.214 0.000 1.908 26 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 26 A C 2.352 179.718 177.584 -0.362 0.000 1.181 26 A CA 2.313 54.165 52.037 -0.309 0.000 0.627 26 A CB -0.723 18.095 19.000 -0.303 0.000 0.818 26 A HN 0.705 nan 8.150 nan 0.000 0.445 27 S N -1.734 113.766 115.700 -0.332 0.000 2.650 27 S HA 0.376 4.846 4.470 -0.000 0.000 0.219 27 S C 1.358 176.068 174.600 0.183 0.000 0.960 27 S CA 0.976 59.123 58.200 -0.089 0.000 0.925 27 S CB -0.479 62.572 63.200 -0.248 0.000 0.775 27 S HN 1.948 nan 8.310 nan 0.000 0.525 28 G N 0.460 109.313 108.800 0.088 0.000 2.155 28 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.257 28 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.257 28 G C 0.843 175.809 174.900 0.111 0.000 0.983 28 G CA 0.155 45.365 45.100 0.183 0.000 0.676 28 G HN 0.972 nan 8.290 nan 0.000 0.528 29 G N -0.607 108.232 108.800 0.065 0.000 2.572 29 G HA2 0.571 4.531 3.960 -0.000 0.000 0.216 29 G HA3 0.571 4.531 3.960 -0.000 0.000 0.216 29 G C 0.617 175.543 174.900 0.043 0.000 1.133 29 G CA 1.661 46.797 45.100 0.059 0.000 0.791 29 G HN 1.824 nan 8.290 nan 0.000 0.538 30 A N -0.396 122.440 122.820 0.027 0.000 2.515 30 A HA 0.775 5.095 4.320 -0.000 0.000 0.298 30 A C -0.302 177.287 177.584 0.008 0.000 1.059 30 A CA -0.839 51.209 52.037 0.019 0.000 0.698 30 A CB 1.492 20.501 19.000 0.016 0.000 1.289 30 A HN 0.194 nan 8.150 nan 0.000 0.404 31 R N 0.173 120.678 120.500 0.009 0.000 2.577 31 R HA 0.623 4.963 4.340 -0.000 0.000 0.269 31 R C -0.650 175.646 176.300 -0.006 0.000 1.084 31 R CA -0.338 55.764 56.100 0.002 0.000 1.163 31 R CB 1.180 31.484 30.300 0.006 0.000 1.100 31 R HN 0.689 nan 8.270 nan 0.000 0.547 32 I N 0.912 121.475 120.570 -0.012 0.000 2.569 32 I HA 0.417 4.587 4.170 -0.000 0.000 0.296 32 I C -1.334 174.776 176.117 -0.011 0.000 1.028 32 I CA -0.921 60.370 61.300 -0.015 0.000 1.082 32 I CB 1.934 39.918 38.000 -0.027 0.000 1.264 32 I HN 0.284 nan 8.210 nan 0.000 0.429 33 V N 8.101 128.010 119.914 -0.008 0.000 2.686 33 V HA 0.473 4.593 4.120 -0.000 0.000 0.306 33 V C -1.423 174.668 176.094 -0.005 0.000 1.065 33 V CA -0.688 61.608 62.300 -0.005 0.000 0.894 33 V CB 2.027 33.849 31.823 -0.002 0.000 1.004 33 V HN 0.643 nan 8.190 nan 0.000 0.424 34 L N 6.949 128.169 121.223 -0.005 0.000 2.278 34 L HA 0.772 5.112 4.340 -0.000 0.000 0.287 34 L C 0.743 177.613 176.870 -0.000 0.000 1.072 34 L CA 0.550 55.388 54.840 -0.003 0.000 0.819 34 L CB 0.779 42.836 42.059 -0.004 0.000 1.176 34 L HN 0.916 nan 8.230 nan 0.000 0.435 35 A N 6.925 129.746 122.820 0.002 0.000 2.483 35 A HA 0.339 4.659 4.320 -0.000 0.000 0.238 35 A C -1.525 176.062 177.584 0.004 0.000 1.070 35 A CA -0.705 51.334 52.037 0.004 0.000 0.770 35 A CB -0.358 18.646 19.000 0.007 0.000 1.008 35 A HN 0.787 nan 8.150 nan 0.000 0.497 36 P HA -0.155 nan 4.420 nan 0.000 0.216 36 P C -1.458 175.845 177.300 0.005 0.000 1.154 36 P CA 1.812 64.915 63.100 0.004 0.000 0.865 36 P CB -0.733 30.969 31.700 0.004 0.000 0.789 37 P HA -0.160 nan 4.420 nan 0.000 0.215 37 P C 1.464 178.770 177.300 0.009 0.000 1.153 37 P CA 2.023 65.128 63.100 0.008 0.000 0.853 37 P CB -0.617 31.089 31.700 0.010 0.000 0.788 38 A N -0.165 122.661 122.820 0.009 0.000 1.898 38 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 38 A C 2.246 179.835 177.584 0.008 0.000 1.181 38 A CA 1.446 53.489 52.037 0.010 0.000 0.620 38 A CB -1.060 17.945 19.000 0.008 0.000 0.819 38 A HN 0.046 nan 8.150 nan 0.000 0.442 39 R N -0.268 120.236 120.500 0.006 0.000 2.096 39 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 39 R C 1.607 177.910 176.300 0.005 0.000 1.127 39 R CA 1.479 57.581 56.100 0.004 0.000 0.968 39 R CB -0.388 29.913 30.300 0.002 0.000 0.861 39 R HN 0.491 nan 8.270 nan 0.000 0.440 40 D N 0.222 120.625 120.400 0.006 0.000 2.097 40 D HA -0.128 4.512 4.640 -0.000 0.000 0.195 40 D C 1.976 178.281 176.300 0.009 0.000 0.989 40 D CA 1.162 55.166 54.000 0.006 0.000 0.827 40 D CB -0.141 40.663 40.800 0.006 0.000 0.966 40 D HN 0.189 nan 8.370 nan 0.000 0.456 41 R N 0.021 120.527 120.500 0.011 0.000 2.096 41 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 41 R C 2.495 178.806 176.300 0.019 0.000 1.127 41 R CA 0.938 57.047 56.100 0.016 0.000 0.968 41 R CB -0.443 29.868 30.300 0.018 0.000 0.861 41 R HN 0.242 nan 8.270 nan 0.000 0.440 42 C N -0.203 119.107 119.300 0.017 0.000 2.457 42 C HA 0.023 4.483 4.460 -0.000 0.000 0.278 42 C C 2.556 177.553 174.990 0.012 0.000 1.309 42 C CA 0.285 59.314 59.018 0.018 0.000 1.735 42 C CB -0.736 27.013 27.740 0.015 0.000 1.992 42 C HN 0.450 nan 8.230 nan 0.000 0.493 43 R N 1.000 121.504 120.500 0.006 0.000 2.096 43 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 43 R C 2.360 178.660 176.300 0.001 0.000 1.127 43 R CA 1.544 57.645 56.100 0.001 0.000 0.968 43 R CB -0.393 29.907 30.300 -0.000 0.000 0.861 43 R HN 0.553 nan 8.270 nan 0.000 0.440 44 A N -0.042 122.782 122.820 0.005 0.000 1.930 44 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 44 A C 2.140 179.726 177.584 0.003 0.000 1.175 44 A CA 1.775 53.815 52.037 0.005 0.000 0.627 44 A CB -0.498 18.508 19.000 0.011 0.000 0.815 44 A HN 0.299 nan 8.150 nan 0.000 0.443 45 S N -0.836 114.871 115.700 0.011 0.000 2.368 45 S HA -0.180 4.290 4.470 -0.000 0.000 0.224 45 S C 2.007 176.585 174.600 -0.036 0.000 1.029 45 S CA 1.501 59.708 58.200 0.012 0.000 0.988 45 S CB -0.327 62.905 63.200 0.053 0.000 0.838 45 S HN 0.662 nan 8.310 nan 0.000 0.462 46 E N 0.271 120.461 120.200 -0.017 0.000 2.118 46 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 46 E C 2.027 178.615 176.600 -0.020 0.000 0.992 46 E CA 1.057 57.447 56.400 -0.016 0.000 0.804 46 E CB -0.304 29.393 29.700 -0.006 0.000 0.741 46 E HN 0.617 nan 8.360 nan 0.000 0.458 47 A N 0.955 123.762 122.820 -0.021 0.000 1.969 47 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 47 A C 2.096 179.651 177.584 -0.048 0.000 1.169 47 A CA 0.979 53.004 52.037 -0.019 0.000 0.635 47 A CB -0.273 18.720 19.000 -0.011 0.000 0.810 47 A HN 0.136 nan 8.150 nan 0.000 0.445 48 R N -1.163 119.293 120.500 -0.073 0.000 2.066 48 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 48 R C 2.142 178.302 176.300 -0.234 0.000 1.131 48 R CA 1.366 57.399 56.100 -0.111 0.000 0.955 48 R CB -0.609 29.645 30.300 -0.078 0.000 0.851 48 R HN 0.492 nan 8.270 nan 0.000 0.432 49 L N 0.700 121.710 121.223 -0.356 0.000 2.012 49 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 49 L C 2.131 178.811 176.870 -0.318 0.000 1.073 49 L CA 2.289 56.812 54.840 -0.530 0.000 0.748 49 L CB -1.126 40.681 42.059 -0.420 0.000 0.891 49 L HN 0.204 nan 8.230 nan 0.000 0.431 50 G N -1.171 107.532 108.800 -0.161 0.000 2.442 50 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 50 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 50 G C 1.569 176.387 174.900 -0.136 0.000 1.141 50 G CA 0.931 45.953 45.100 -0.130 0.000 0.763 50 G HN 0.692 nan 8.290 nan 0.000 0.554 51 A N -0.064 122.693 122.820 -0.106 0.000 1.929 51 A HA 0.180 4.500 4.320 -0.000 0.000 0.216 51 A C 2.585 180.121 177.584 -0.081 0.000 1.176 51 A CA 1.545 53.538 52.037 -0.074 0.000 0.628 51 A CB -0.494 18.477 19.000 -0.049 0.000 0.816 51 A HN 0.232 nan 8.150 nan 0.000 0.444 52 V N 0.383 120.227 119.914 -0.116 0.000 2.287 52 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 52 V C 2.426 178.474 176.094 -0.077 0.000 1.053 52 V CA 2.148 64.403 62.300 -0.076 0.000 1.027 52 V CB -0.616 31.146 31.823 -0.101 0.000 0.646 52 V HN 0.580 nan 8.190 nan 0.000 0.447 53 I N -0.545 119.932 120.570 -0.155 0.000 2.202 53 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 53 I C 2.727 178.782 176.117 -0.104 0.000 1.091 53 I CA 1.654 62.858 61.300 -0.159 0.000 1.368 53 I CB -0.462 37.341 38.000 -0.328 0.000 1.058 53 I HN 0.208 nan 8.210 nan 0.000 0.410 54 R N 1.296 121.735 120.500 -0.101 0.000 2.105 54 R HA -0.191 4.149 4.340 -0.000 0.000 0.239 54 R C 1.682 177.961 176.300 -0.035 0.000 1.135 54 R CA 1.615 57.680 56.100 -0.058 0.000 0.967 54 R CB -0.031 30.241 30.300 -0.048 0.000 0.861 54 R HN 0.448 nan 8.270 nan 0.000 0.442 55 E N -0.577 119.606 120.200 -0.030 0.000 2.489 55 E HA 0.106 4.456 4.350 -0.000 0.000 0.193 55 E C 0.255 176.855 176.600 -0.001 0.000 1.057 55 E CA 0.383 56.777 56.400 -0.010 0.000 0.866 55 E CB 0.522 30.221 29.700 -0.001 0.000 0.916 55 E HN 0.424 nan 8.360 nan 0.000 0.500 56 A N 2.195 125.011 122.820 -0.007 0.000 2.791 56 A HA -0.221 4.099 4.320 -0.000 0.000 0.292 56 A C 0.002 177.606 177.584 0.033 0.000 1.487 56 A CA 0.512 52.551 52.037 0.003 0.000 0.760 56 A CB -1.326 17.671 19.000 -0.005 0.000 1.031 56 A HN 0.132 nan 8.150 nan 0.000 0.503 57 R N 0.189 120.722 120.500 0.055 0.000 2.543 57 R HA 0.142 4.482 4.340 -0.000 0.000 0.277 57 R C 0.519 176.920 176.300 0.168 0.000 1.074 57 R CA -0.180 55.982 56.100 0.104 0.000 1.076 57 R CB 0.159 30.527 30.300 0.114 0.000 0.993 57 R HN 0.721 nan 8.270 nan 0.000 0.459 58 H N 1.861 120.964 119.070 0.055 0.000 3.160 58 H HA 0.218 4.774 4.556 -0.000 0.000 0.257 58 H C -0.901 174.496 175.328 0.116 0.000 1.140 58 H CA -0.361 55.716 56.048 0.048 0.000 1.492 58 H CB 0.249 30.017 29.762 0.011 0.000 1.529 58 H HN 0.052 nan 8.280 nan 0.000 0.490 59 V N 6.400 126.506 119.914 0.320 0.000 2.686 59 V HA 0.007 4.127 4.120 -0.000 0.000 0.306 59 V C -0.768 175.548 176.094 0.370 0.000 1.065 59 V CA -0.999 61.518 62.300 0.363 0.000 0.894 59 V CB 1.410 33.433 31.823 0.334 0.000 1.004 59 V HN 0.656 nan 8.190 nan 0.000 0.424 60 Y N 3.516 124.060 120.300 0.407 0.000 2.717 60 Y HA 0.381 4.931 4.550 -0.000 0.000 0.330 60 Y C 1.372 177.357 175.900 0.142 0.000 1.217 60 Y CA 1.812 60.042 58.100 0.215 0.000 1.506 60 Y CB 0.688 39.327 38.460 0.298 0.000 1.268 60 Y HN 1.057 nan 8.280 nan 0.000 0.561 61 G N 4.076 112.547 108.800 -0.548 0.000 2.234 61 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 61 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 61 G C 0.620 175.446 174.900 -0.122 0.000 0.987 61 G CA 0.635 45.500 45.100 -0.393 0.000 0.625 61 G HN 0.672 nan 8.290 nan 0.000 0.532 62 L N -0.047 121.155 121.223 -0.035 0.000 2.609 62 L HA 0.301 4.641 4.340 -0.000 0.000 0.230 62 L C 2.085 178.942 176.870 -0.022 0.000 1.064 62 L CA 1.488 56.333 54.840 0.009 0.000 0.873 62 L CB 0.576 42.679 42.059 0.073 0.000 1.139 62 L HN 0.465 nan 8.230 nan 0.000 0.490 63 T N -4.013 110.530 114.554 -0.018 0.000 3.403 63 T HA 0.183 4.533 4.350 -0.000 0.000 0.308 63 T C 0.227 174.889 174.700 -0.063 0.000 0.952 63 T CA 0.136 62.220 62.100 -0.026 0.000 0.970 63 T CB 0.060 68.944 68.868 0.027 0.000 1.189 63 T HN 0.160 nan 8.240 nan 0.000 0.528 64 T N -1.880 112.585 114.554 -0.149 0.000 2.843 64 T HA 0.774 5.123 4.350 -0.000 0.000 0.302 64 T C 0.492 174.926 174.700 -0.443 0.000 1.232 64 T CA -0.289 61.699 62.100 -0.186 0.000 1.009 64 T CB 1.398 70.247 68.868 -0.031 0.000 1.254 64 T HN 0.330 nan 8.240 nan 0.000 0.504 65 G N -0.085 108.510 108.800 -0.341 0.000 2.588 65 G HA2 0.563 4.523 3.960 -0.000 0.000 0.278 65 G HA3 0.563 4.523 3.960 -0.000 0.000 0.278 65 G C -0.980 173.573 174.900 -0.578 0.000 1.307 65 G CA -0.810 44.029 45.100 -0.434 0.000 1.016 65 G HN 0.557 nan 8.290 nan 0.000 0.503 66 F N -0.721 119.206 119.950 -0.038 0.000 2.440 66 F HA 0.586 5.113 4.527 0.000 0.000 0.328 66 F C 1.308 177.239 175.800 0.218 0.000 1.070 66 F CA 0.482 58.533 58.000 0.085 0.000 1.011 66 F CB 1.194 40.300 39.000 0.176 0.000 1.226 66 F HN 0.994 nan 8.300 nan 0.000 0.491 67 G N 1.581 110.730 108.800 0.581 0.000 2.634 67 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.309 67 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.309 67 G C -1.831 173.191 174.900 0.204 0.000 1.265 67 G CA 0.052 45.331 45.100 0.298 0.000 0.998 67 G HN 0.528 nan 8.290 nan 0.000 0.551 68 P HA 0.137 nan 4.420 nan 0.000 0.230 68 P C 1.687 179.027 177.300 0.066 0.000 1.158 68 P CA 0.754 63.900 63.100 0.077 0.000 0.769 68 P CB -0.076 31.652 31.700 0.047 0.000 0.807 69 L N -1.618 119.649 121.223 0.073 0.000 2.591 69 L HA 0.184 4.524 4.340 -0.000 0.000 0.228 69 L C 2.045 178.932 176.870 0.028 0.000 1.133 69 L CA 0.130 54.989 54.840 0.031 0.000 0.880 69 L CB -0.647 41.413 42.059 0.002 0.000 1.033 69 L HN -0.055 nan 8.230 nan 0.000 0.450 70 A N 1.403 124.279 122.820 0.094 0.000 2.178 70 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 70 A C 1.960 179.591 177.584 0.079 0.000 1.157 70 A CA 1.457 53.561 52.037 0.112 0.000 0.689 70 A CB -0.544 18.634 19.000 0.296 0.000 0.787 70 A HN 0.654 nan 8.150 nan 0.000 0.465 71 N N -0.587 118.144 118.700 0.051 0.000 2.515 71 N HA -0.039 4.701 4.740 -0.000 0.000 0.185 71 N C 0.083 175.589 175.510 -0.007 0.000 1.109 71 N CA 0.257 53.325 53.050 0.031 0.000 0.903 71 N CB -0.208 38.293 38.487 0.024 0.000 0.969 71 N HN 0.180 nan 8.380 nan 0.000 0.450 72 R N 1.129 121.616 120.500 -0.021 0.000 2.205 72 R HA 0.374 4.714 4.340 -0.000 0.000 0.342 72 R C -0.168 176.090 176.300 -0.070 0.000 1.058 72 R CA -0.249 55.823 56.100 -0.046 0.000 0.904 72 R CB 0.567 30.838 30.300 -0.048 0.000 1.089 72 R HN 0.165 nan 8.270 nan 0.000 0.471 73 L N 4.041 125.214 121.223 -0.083 0.000 2.417 73 L HA 0.368 4.708 4.340 -0.000 0.000 0.268 73 L C 0.159 176.973 176.870 -0.092 0.000 1.158 73 L CA -0.406 54.369 54.840 -0.108 0.000 0.819 73 L CB 0.579 42.548 42.059 -0.150 0.000 1.112 73 L HN 0.349 nan 8.230 nan 0.000 0.458 74 I N 1.297 121.810 120.570 -0.095 0.000 2.474 74 I HA 0.232 4.402 4.170 -0.000 0.000 0.294 74 I C 0.335 176.415 176.117 -0.061 0.000 1.005 74 I CA -0.258 60.995 61.300 -0.079 0.000 1.113 74 I CB 1.709 39.651 38.000 -0.097 0.000 1.289 74 I HN 0.529 nan 8.210 nan 0.000 0.436 75 S N 2.963 118.636 115.700 -0.046 0.000 2.580 75 S HA 0.354 4.824 4.470 -0.000 0.000 0.274 75 S C 1.469 176.052 174.600 -0.029 0.000 1.329 75 S CA 0.195 58.374 58.200 -0.036 0.000 1.036 75 S CB 1.255 64.438 63.200 -0.028 0.000 0.919 75 S HN 0.881 nan 8.310 nan 0.000 0.515 76 G N 2.835 111.620 108.800 -0.025 0.000 2.505 76 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 76 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 76 G C 1.291 176.185 174.900 -0.010 0.000 1.145 76 G CA 1.178 46.267 45.100 -0.020 0.000 0.761 76 G HN 0.907 nan 8.290 nan 0.000 0.571 77 E N 0.860 121.056 120.200 -0.007 0.000 2.333 77 E HA -0.103 4.247 4.350 -0.000 0.000 0.198 77 E C 1.092 177.694 176.600 0.003 0.000 1.007 77 E CA 0.832 57.232 56.400 -0.000 0.000 0.845 77 E CB -0.376 29.324 29.700 -0.001 0.000 0.766 77 E HN 0.399 nan 8.360 nan 0.000 0.507 78 N N 0.763 119.461 118.700 -0.003 0.000 2.230 78 N HA 0.055 4.795 4.740 -0.000 0.000 0.202 78 N C 1.500 177.012 175.510 0.005 0.000 1.119 78 N CA 0.148 53.199 53.050 0.001 0.000 0.851 78 N CB 0.894 39.378 38.487 -0.006 0.000 0.990 78 N HN 0.033 nan 8.380 nan 0.000 0.497 79 V N 1.058 120.975 119.914 0.005 0.000 2.407 79 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 79 V C 2.395 178.511 176.094 0.036 0.000 1.055 79 V CA 1.333 63.641 62.300 0.014 0.000 1.049 79 V CB -0.205 31.627 31.823 0.014 0.000 0.662 79 V HN 0.209 nan 8.190 nan 0.000 0.455 80 R N 0.388 120.908 120.500 0.034 0.000 2.080 80 R HA -0.122 4.218 4.340 -0.000 0.000 0.236 80 R C 2.412 178.727 176.300 0.024 0.000 1.137 80 R CA 2.045 58.164 56.100 0.031 0.000 0.943 80 R CB -1.556 28.759 30.300 0.024 0.000 0.846 80 R HN 0.517 nan 8.270 nan 0.000 0.431 81 T N 2.567 117.137 114.554 0.026 0.000 2.684 81 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 81 T C 1.907 176.639 174.700 0.053 0.000 1.036 81 T CA 1.304 63.422 62.100 0.031 0.000 1.148 81 T CB -0.384 68.503 68.868 0.033 0.000 0.863 81 T HN 0.085 nan 8.240 nan 0.000 0.436 82 L N 1.365 122.628 121.223 0.067 0.000 1.990 82 L HA -0.183 4.157 4.340 -0.000 0.000 0.213 82 L C 2.419 179.418 176.870 0.214 0.000 1.072 82 L CA 1.870 56.787 54.840 0.128 0.000 0.755 82 L CB -0.681 41.412 42.059 0.057 0.000 0.889 82 L HN 0.283 nan 8.230 nan 0.000 0.432 83 Q N -1.060 118.825 119.800 0.142 0.000 2.297 83 Q HA -0.041 4.299 4.340 -0.000 0.000 0.204 83 Q C 2.138 178.117 176.000 -0.034 0.000 0.962 83 Q CA 1.015 56.879 55.803 0.102 0.000 0.879 83 Q CB -0.203 28.584 28.738 0.081 0.000 0.947 83 Q HN 0.705 nan 8.270 nan 0.000 0.462 84 A N 1.706 124.490 122.820 -0.060 0.000 1.897 84 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 84 A C 1.770 179.158 177.584 -0.327 0.000 1.181 84 A CA 1.114 53.027 52.037 -0.206 0.000 0.620 84 A CB -0.237 18.677 19.000 -0.143 0.000 0.821 84 A HN 0.240 nan 8.150 nan 0.000 0.443 85 N N 0.005 118.657 118.700 -0.080 0.000 2.188 85 N HA -0.119 4.621 4.740 -0.000 0.000 0.184 85 N C 1.583 177.147 175.510 0.090 0.000 1.018 85 N CA 1.296 54.388 53.050 0.069 0.000 0.858 85 N CB -0.592 38.019 38.487 0.207 0.000 0.989 85 N HN 0.425 nan 8.380 nan 0.000 0.426 86 L N 1.143 122.358 121.223 -0.012 0.000 1.971 86 L HA -0.151 4.189 4.340 -0.000 0.000 0.215 86 L C 1.976 178.443 176.870 -0.671 0.000 1.072 86 L CA 1.546 56.133 54.840 -0.422 0.000 0.758 86 L CB -0.806 40.946 42.059 -0.513 0.000 0.889 86 L HN -0.080 nan 8.230 nan 0.000 0.433 87 V N -0.351 119.308 119.914 -0.426 0.000 2.332 87 V HA -0.359 3.761 4.120 -0.000 0.000 0.248 87 V C 2.389 178.322 176.094 -0.268 0.000 1.055 87 V CA 2.294 64.374 62.300 -0.367 0.000 1.038 87 V CB -1.062 30.593 31.823 -0.281 0.000 0.651 87 V HN 0.639 nan 8.190 nan 0.000 0.450 88 H N -0.383 118.564 119.070 -0.205 0.000 2.299 88 H HA -0.161 4.395 4.556 -0.000 0.000 0.302 88 H C 2.225 177.492 175.328 -0.101 0.000 1.078 88 H CA 1.850 57.826 56.048 -0.121 0.000 1.323 88 H CB -0.250 29.502 29.762 -0.016 0.000 1.381 88 H HN 0.611 nan 8.280 nan 0.000 0.498 89 F N 0.658 120.636 119.950 0.046 0.000 2.365 89 F HA -0.013 4.514 4.527 -0.000 0.000 0.300 89 F C 1.583 177.352 175.800 -0.050 0.000 1.090 89 F CA 0.744 58.742 58.000 -0.005 0.000 1.408 89 F CB -0.674 38.326 39.000 0.001 0.000 1.060 89 F HN 0.004 nan 8.300 nan 0.000 0.534 90 L N 0.637 121.489 121.223 -0.618 0.000 2.418 90 L HA 0.225 4.565 4.340 -0.000 0.000 0.218 90 L C 1.810 178.515 176.870 -0.275 0.000 1.125 90 L CA 0.388 54.944 54.840 -0.473 0.000 0.835 90 L CB -0.631 41.034 42.059 -0.656 0.000 0.953 90 L HN 0.273 nan 8.230 nan 0.000 0.454 91 A N 0.108 122.742 122.820 -0.310 0.000 3.077 91 A HA 0.179 4.498 4.320 -0.000 0.000 0.255 91 A C 1.174 178.705 177.584 -0.089 0.000 1.728 91 A CA 0.169 51.900 52.037 -0.511 0.000 1.383 91 A CB -0.614 18.032 19.000 -0.590 0.000 1.097 91 A HN 0.347 nan 8.150 nan 0.000 0.634 92 S N -0.495 115.254 115.700 0.081 0.000 2.602 92 S HA 0.374 4.844 4.470 -0.000 0.000 0.240 92 S C 0.871 175.577 174.600 0.177 0.000 0.992 92 S CA 0.075 58.356 58.200 0.135 0.000 0.971 92 S CB 0.113 63.364 63.200 0.085 0.000 0.855 92 S HN 0.757 nan 8.310 nan 0.000 0.481 93 G N 1.542 110.551 108.800 0.349 0.000 2.527 93 G HA2 0.512 4.472 3.960 -0.000 0.000 0.248 93 G HA3 0.512 4.472 3.960 -0.000 0.000 0.248 93 G C -0.138 174.734 174.900 -0.046 0.000 1.231 93 G CA 0.066 45.218 45.100 0.086 0.000 0.838 93 G HN 1.001 nan 8.290 nan 0.000 0.570 94 V N -1.036 118.845 119.914 -0.056 0.000 3.182 94 V HA 1.036 5.156 4.120 -0.000 0.000 0.308 94 V C 0.528 176.586 176.094 -0.060 0.000 1.240 94 V CA -0.116 62.149 62.300 -0.057 0.000 1.063 94 V CB 1.128 32.940 31.823 -0.019 0.000 1.076 94 V HN 2.552 nan 8.190 nan 0.000 0.446 95 G N 0.426 109.197 108.800 -0.048 0.000 2.663 95 G HA2 0.087 4.047 3.960 -0.000 0.000 0.686 95 G HA3 0.087 4.047 3.960 -0.000 0.000 0.686 95 G C -2.807 172.067 174.900 -0.043 0.000 1.288 95 G CA -0.307 44.771 45.100 -0.036 0.000 0.836 95 G HN 1.108 nan 8.290 nan 0.000 0.584 96 P HA 0.394 nan 4.420 nan 0.000 0.267 96 P C 0.882 178.164 177.300 -0.030 0.000 1.200 96 P CA 0.455 63.542 63.100 -0.021 0.000 0.772 96 P CB 0.784 32.481 31.700 -0.005 0.000 0.855 97 V N 1.370 121.267 119.914 -0.029 0.000 3.051 97 V HA 0.170 4.290 4.120 -0.000 0.000 0.306 97 V C 0.629 176.718 176.094 -0.009 0.000 1.083 97 V CA -0.665 61.615 62.300 -0.035 0.000 1.104 97 V CB -0.448 31.359 31.823 -0.028 0.000 1.027 97 V HN 0.297 nan 8.190 nan 0.000 0.483 98 L N 2.715 123.930 121.223 -0.013 0.000 2.461 98 L HA 0.265 4.604 4.340 -0.000 0.000 0.272 98 L C 0.632 177.523 176.870 0.035 0.000 1.197 98 L CA -0.239 54.605 54.840 0.007 0.000 0.836 98 L CB 0.250 42.304 42.059 -0.009 0.000 1.105 98 L HN 1.031 nan 8.230 nan 0.000 0.477 99 D N 0.048 120.484 120.400 0.060 0.000 2.368 99 D HA -0.127 4.513 4.640 -0.000 0.000 0.240 99 D C 0.725 177.115 176.300 0.149 0.000 1.169 99 D CA -0.395 53.673 54.000 0.112 0.000 0.906 99 D CB 0.531 41.402 40.800 0.118 0.000 1.187 99 D HN 0.546 nan 8.370 nan 0.000 0.435 100 W N 1.319 122.622 121.300 0.005 0.000 2.290 100 W HA -0.298 4.362 4.660 -0.000 0.000 0.323 100 W C 2.162 178.674 176.519 -0.011 0.000 1.260 100 W CA 2.700 60.047 57.345 0.004 0.000 1.266 100 W CB -0.737 28.727 29.460 0.007 0.000 1.149 100 W HN 0.452 nan 8.180 nan 0.000 0.482 101 T N -0.347 114.339 114.554 0.220 0.000 2.746 101 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 101 T C 1.569 176.194 174.700 -0.125 0.000 1.039 101 T CA 2.272 64.354 62.100 -0.029 0.000 1.142 101 T CB -0.891 68.042 68.868 0.108 0.000 0.866 101 T HN 0.175 nan 8.240 nan 0.000 0.444 102 T N 2.051 116.589 114.554 -0.026 0.000 2.746 102 T HA -0.011 4.339 4.350 -0.000 0.000 0.267 102 T C 2.429 177.083 174.700 -0.077 0.000 1.039 102 T CA 1.138 63.220 62.100 -0.029 0.000 1.142 102 T CB -0.571 68.308 68.868 0.019 0.000 0.866 102 T HN 0.427 nan 8.240 nan 0.000 0.444 103 A N 1.803 124.565 122.820 -0.096 0.000 1.908 103 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 103 A C 2.375 179.854 177.584 -0.175 0.000 1.181 103 A CA 1.559 53.525 52.037 -0.118 0.000 0.627 103 A CB -0.504 18.429 19.000 -0.111 0.000 0.818 103 A HN 0.419 nan 8.150 nan 0.000 0.445 104 R N -0.625 119.700 120.500 -0.291 0.000 2.115 104 R HA 0.003 4.343 4.340 -0.000 0.000 0.230 104 R C 2.418 178.586 176.300 -0.219 0.000 1.111 104 R CA 1.020 56.926 56.100 -0.323 0.000 0.976 104 R CB -0.418 29.543 30.300 -0.566 0.000 0.870 104 R HN 0.514 nan 8.270 nan 0.000 0.445 105 A N 1.149 123.858 122.820 -0.186 0.000 1.933 105 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 105 A C 2.115 179.647 177.584 -0.087 0.000 1.175 105 A CA 1.372 53.335 52.037 -0.122 0.000 0.628 105 A CB -0.444 18.509 19.000 -0.079 0.000 0.814 105 A HN 0.331 nan 8.150 nan 0.000 0.444 106 M N -0.316 119.234 119.600 -0.083 0.000 2.099 106 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 106 M C 1.917 178.178 176.300 -0.064 0.000 1.067 106 M CA 1.992 57.256 55.300 -0.060 0.000 1.124 106 M CB -0.240 32.328 32.600 -0.054 0.000 1.353 106 M HN 0.192 nan 8.290 nan 0.000 0.410 107 V N 1.171 121.036 119.914 -0.081 0.000 2.287 107 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 107 V C 2.437 178.492 176.094 -0.065 0.000 1.053 107 V CA 1.854 64.111 62.300 -0.071 0.000 1.027 107 V CB -1.014 30.759 31.823 -0.084 0.000 0.646 107 V HN 0.598 nan 8.190 nan 0.000 0.447 108 L N 0.953 122.128 121.223 -0.081 0.000 2.017 108 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 108 L C 2.458 179.294 176.870 -0.057 0.000 1.073 108 L CA 2.416 57.213 54.840 -0.072 0.000 0.745 108 L CB -1.007 40.999 42.059 -0.088 0.000 0.894 108 L HN 0.213 nan 8.230 nan 0.000 0.432 109 A N -0.385 122.403 122.820 -0.055 0.000 1.908 109 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 109 A C 2.480 180.044 177.584 -0.035 0.000 1.181 109 A CA 1.942 53.952 52.037 -0.045 0.000 0.627 109 A CB -0.643 18.334 19.000 -0.039 0.000 0.818 109 A HN 0.507 nan 8.150 nan 0.000 0.445 110 R N -0.746 119.735 120.500 -0.031 0.000 2.092 110 R HA -0.055 4.285 4.340 -0.000 0.000 0.231 110 R C 1.927 178.217 176.300 -0.018 0.000 1.119 110 R CA 1.432 57.520 56.100 -0.020 0.000 0.970 110 R CB -0.587 29.700 30.300 -0.021 0.000 0.864 110 R HN 0.435 nan 8.270 nan 0.000 0.440 111 L N -0.084 121.124 121.223 -0.025 0.000 2.046 111 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 111 L C 1.871 178.729 176.870 -0.020 0.000 1.077 111 L CA 1.631 56.458 54.840 -0.021 0.000 0.747 111 L CB -0.463 41.579 42.059 -0.029 0.000 0.896 111 L HN 0.068 nan 8.230 nan 0.000 0.432 112 V N -1.097 118.799 119.914 -0.029 0.000 2.343 112 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 112 V C 2.757 178.839 176.094 -0.019 0.000 1.051 112 V CA 1.791 64.073 62.300 -0.030 0.000 1.036 112 V CB -0.831 30.963 31.823 -0.049 0.000 0.654 112 V HN 0.633 nan 8.190 nan 0.000 0.451 113 S N -0.406 115.284 115.700 -0.016 0.000 2.368 113 S HA -0.146 4.324 4.470 -0.000 0.000 0.225 113 S C 1.916 176.520 174.600 0.006 0.000 1.030 113 S CA 1.666 59.862 58.200 -0.008 0.000 0.999 113 S CB -0.339 62.858 63.200 -0.005 0.000 0.844 113 S HN 0.523 nan 8.310 nan 0.000 0.459 114 I N 1.510 122.086 120.570 0.009 0.000 2.315 114 I HA -0.121 4.049 4.170 -0.000 0.000 0.248 114 I C 2.699 178.828 176.117 0.021 0.000 1.117 114 I CA 1.002 62.315 61.300 0.022 0.000 1.404 114 I CB -0.468 37.543 38.000 0.019 0.000 1.071 114 I HN 0.364 nan 8.210 nan 0.000 0.419 115 A N 0.117 122.943 122.820 0.009 0.000 2.076 115 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 115 A C 2.101 179.694 177.584 0.014 0.000 1.160 115 A CA 1.240 53.282 52.037 0.009 0.000 0.653 115 A CB -0.372 18.628 19.000 0.000 0.000 0.801 115 A HN 0.412 nan 8.150 nan 0.000 0.455 116 Q N -1.137 118.672 119.800 0.015 0.000 2.437 116 Q HA 0.028 4.368 4.340 -0.000 0.000 0.210 116 Q C 1.285 177.301 176.000 0.027 0.000 0.972 116 Q CA 0.859 56.673 55.803 0.018 0.000 0.903 116 Q CB -0.694 28.052 28.738 0.012 0.000 0.967 116 Q HN 1.088 nan 8.270 nan 0.000 0.486 117 G N 0.334 109.155 108.800 0.035 0.000 2.212 117 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.255 117 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.255 117 G C 0.453 175.397 174.900 0.073 0.000 1.062 117 G CA 0.435 45.563 45.100 0.048 0.000 0.815 117 G HN 0.540 nan 8.290 nan 0.000 0.497 118 A N -1.096 121.777 122.820 0.088 0.000 2.635 118 A HA 0.738 5.058 4.320 -0.000 0.000 0.279 118 A C 1.627 179.332 177.584 0.201 0.000 1.122 118 A CA 1.374 53.486 52.037 0.125 0.000 0.965 118 A CB 0.307 19.337 19.000 0.050 0.000 1.221 118 A HN 0.737 nan 8.150 nan 0.000 0.566 119 S N -1.189 114.639 115.700 0.212 0.000 2.506 119 S HA 0.369 4.839 4.470 -0.000 0.000 0.219 119 S C 1.491 176.318 174.600 0.378 0.000 1.031 119 S CA 0.720 59.081 58.200 0.269 0.000 0.911 119 S CB 0.418 63.701 63.200 0.138 0.000 0.812 119 S HN 1.675 nan 8.310 nan 0.000 0.497 120 G N 1.895 110.829 108.800 0.222 0.000 2.143 120 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.248 120 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.248 120 G C 0.176 175.111 174.900 0.058 0.000 0.991 120 G CA 0.031 45.165 45.100 0.057 0.000 0.689 120 G HN 0.858 nan 8.290 nan 0.000 0.522 121 A N 0.352 123.216 122.820 0.074 0.000 2.462 121 A HA 0.657 4.977 4.320 -0.000 0.000 0.243 121 A C 1.144 178.737 177.584 0.015 0.000 1.076 121 A CA 0.950 53.014 52.037 0.046 0.000 0.773 121 A CB 0.272 19.297 19.000 0.042 0.000 1.010 121 A HN 2.028 nan 8.150 nan 0.000 0.493 122 S N 1.653 117.348 115.700 -0.008 0.000 2.593 122 S HA 0.159 4.629 4.470 -0.000 0.000 0.269 122 S C 0.682 175.268 174.600 -0.022 0.000 1.334 122 S CA 0.159 58.339 58.200 -0.033 0.000 1.015 122 S CB 0.632 63.788 63.200 -0.073 0.000 0.912 122 S HN 0.715 nan 8.310 nan 0.000 0.541 123 E N 1.915 122.100 120.200 -0.024 0.000 2.085 123 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 123 E C 2.175 178.764 176.600 -0.017 0.000 0.994 123 E CA 1.216 57.606 56.400 -0.017 0.000 0.801 123 E CB -0.819 28.871 29.700 -0.017 0.000 0.743 123 E HN 0.895 nan 8.360 nan 0.000 0.453 124 G N 0.786 109.571 108.800 -0.025 0.000 2.446 124 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 124 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 124 G C 1.671 176.562 174.900 -0.016 0.000 1.168 124 G CA 1.406 46.493 45.100 -0.021 0.000 0.771 124 G HN 0.190 nan 8.290 nan 0.000 0.551 125 T N 1.204 115.748 114.554 -0.017 0.000 2.746 125 T HA -0.049 4.301 4.350 -0.000 0.000 0.267 125 T C 2.392 177.089 174.700 -0.006 0.000 1.039 125 T CA 0.999 63.093 62.100 -0.010 0.000 1.142 125 T CB -0.166 68.696 68.868 -0.009 0.000 0.866 125 T HN 0.248 nan 8.240 nan 0.000 0.444 126 I N 1.197 121.764 120.570 -0.006 0.000 2.226 126 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 126 I C 2.870 178.984 176.117 -0.006 0.000 1.100 126 I CA 1.044 62.341 61.300 -0.004 0.000 1.374 126 I CB -0.444 37.554 38.000 -0.003 0.000 1.057 126 I HN 0.191 nan 8.210 nan 0.000 0.413 127 A N 0.769 123.585 122.820 -0.007 0.000 1.933 127 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 127 A C 2.337 179.918 177.584 -0.004 0.000 1.175 127 A CA 1.313 53.346 52.037 -0.006 0.000 0.628 127 A CB -0.402 18.594 19.000 -0.008 0.000 0.814 127 A HN 0.255 nan 8.150 nan 0.000 0.444 128 R N -0.196 120.304 120.500 -0.000 0.000 2.081 128 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 128 R C 2.061 178.367 176.300 0.009 0.000 1.131 128 R CA 1.237 57.342 56.100 0.009 0.000 0.960 128 R CB -1.056 29.252 30.300 0.014 0.000 0.856 128 R HN 0.603 nan 8.270 nan 0.000 0.436 129 L N 0.230 121.453 121.223 0.000 0.000 2.017 129 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 129 L C 2.524 179.385 176.870 -0.014 0.000 1.073 129 L CA 1.202 56.038 54.840 -0.008 0.000 0.745 129 L CB -0.504 41.547 42.059 -0.014 0.000 0.894 129 L HN 0.073 nan 8.230 nan 0.000 0.432 130 I N -0.056 120.506 120.570 -0.013 0.000 2.226 130 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 130 I C 2.166 178.275 176.117 -0.014 0.000 1.100 130 I CA 1.235 62.525 61.300 -0.016 0.000 1.374 130 I CB -0.402 37.591 38.000 -0.013 0.000 1.057 130 I HN 0.271 nan 8.210 nan 0.000 0.413 131 D N 0.744 121.139 120.400 -0.008 0.000 2.104 131 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 131 D C 2.139 178.435 176.300 -0.006 0.000 0.994 131 D CA 0.976 54.972 54.000 -0.007 0.000 0.830 131 D CB -0.398 40.398 40.800 -0.006 0.000 0.959 131 D HN 0.153 nan 8.370 nan 0.000 0.452 132 L N 0.857 122.082 121.223 0.003 0.000 2.012 132 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 132 L C 2.134 178.990 176.870 -0.022 0.000 1.073 132 L CA 1.454 56.302 54.840 0.013 0.000 0.748 132 L CB -0.907 41.176 42.059 0.041 0.000 0.891 132 L HN 0.104 nan 8.230 nan 0.000 0.431 133 L N 0.077 121.275 121.223 -0.042 0.000 2.191 133 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 133 L C 1.832 178.678 176.870 -0.040 0.000 1.103 133 L CA 0.848 55.646 54.840 -0.071 0.000 0.769 133 L CB -0.539 41.478 42.059 -0.071 0.000 0.908 133 L HN 0.371 nan 8.230 nan 0.000 0.438 134 N N -0.550 118.140 118.700 -0.017 0.000 2.398 134 N HA -0.003 4.737 4.740 -0.000 0.000 0.188 134 N C 0.833 176.354 175.510 0.019 0.000 1.122 134 N CA 0.310 53.360 53.050 0.001 0.000 0.866 134 N CB 0.219 38.705 38.487 -0.002 0.000 0.970 134 N HN 0.330 nan 8.380 nan 0.000 0.462 135 S N -0.124 115.589 115.700 0.022 0.000 2.694 135 S HA 0.312 4.782 4.470 -0.000 0.000 0.278 135 S C 0.769 175.442 174.600 0.120 0.000 1.152 135 S CA -0.446 57.779 58.200 0.042 0.000 1.010 135 S CB 1.484 64.691 63.200 0.012 0.000 1.104 135 S HN -0.097 nan 8.310 nan 0.000 0.547 136 E N -0.005 120.291 120.200 0.159 0.000 2.476 136 E HA 0.362 4.712 4.350 -0.000 0.000 0.196 136 E C -0.083 176.822 176.600 0.507 0.000 1.029 136 E CA -0.007 56.577 56.400 0.307 0.000 0.896 136 E CB -0.150 29.634 29.700 0.140 0.000 1.012 136 E HN 0.508 nan 8.360 nan 0.000 0.475 137 L N -0.133 121.298 121.223 0.345 0.000 2.331 137 L HA 0.757 5.097 4.340 -0.000 0.000 0.268 137 L C 0.007 176.999 176.870 0.203 0.000 1.015 137 L CA -1.094 53.983 54.840 0.394 0.000 0.807 137 L CB 1.457 43.618 42.059 0.171 0.000 1.293 137 L HN -0.172 nan 8.230 nan 0.000 0.451 138 A N 0.845 123.803 122.820 0.229 0.000 2.549 138 A HA 0.782 5.102 4.320 -0.000 0.000 0.297 138 A C -2.813 174.847 177.584 0.127 0.000 1.061 138 A CA -1.343 50.676 52.037 -0.031 0.000 0.690 138 A CB 1.840 20.606 19.000 -0.389 0.000 1.287 138 A HN 0.368 nan 8.150 nan 0.000 0.402 139 P HA 0.380 nan 4.420 nan 0.000 0.275 139 P C -0.334 176.876 177.300 -0.149 0.000 1.228 139 P CA 0.084 63.036 63.100 -0.246 0.000 0.786 139 P CB 1.289 32.846 31.700 -0.240 0.000 0.927 140 A N 3.320 126.030 122.820 -0.184 0.000 2.366 140 A HA 0.508 4.827 4.320 -0.000 0.000 0.322 140 A C 0.195 177.710 177.584 -0.114 0.000 1.397 140 A CA -0.504 51.477 52.037 -0.092 0.000 0.984 140 A CB -0.403 18.563 19.000 -0.058 0.000 1.149 140 A HN 0.436 nan 8.150 nan 0.000 0.540 141 V N 0.875 120.729 119.914 -0.101 0.000 2.604 141 V HA 0.766 4.886 4.120 -0.000 0.000 0.305 141 V C -2.791 173.208 176.094 -0.159 0.000 1.043 141 V CA -2.650 59.571 62.300 -0.131 0.000 0.888 141 V CB 1.841 33.623 31.823 -0.068 0.000 0.995 141 V HN 0.637 nan 8.190 nan 0.000 0.429 142 P HA 0.116 nan 4.420 nan 0.000 0.268 142 P C 0.791 178.017 177.300 -0.124 0.000 1.205 142 P CA 0.379 63.348 63.100 -0.219 0.000 0.771 142 P CB 1.357 32.850 31.700 -0.344 0.000 0.858 143 S N 2.774 118.431 115.700 -0.072 0.000 2.461 143 S HA 0.019 4.489 4.470 -0.000 0.000 0.228 143 S C 0.842 175.429 174.600 -0.022 0.000 1.005 143 S CA 0.119 58.298 58.200 -0.035 0.000 0.942 143 S CB -0.098 63.092 63.200 -0.016 0.000 0.776 143 S HN 0.421 nan 8.310 nan 0.000 0.514 144 R N -0.215 120.268 120.500 -0.028 0.000 2.732 144 R HA 0.626 4.966 4.340 -0.000 0.000 0.278 144 R C 0.681 176.981 176.300 -0.001 0.000 0.976 144 R CA -0.053 56.041 56.100 -0.009 0.000 0.963 144 R CB 1.565 31.861 30.300 -0.007 0.000 1.150 144 R HN 0.318 nan 8.270 nan 0.000 0.478 145 G N 0.207 109.016 108.800 0.015 0.000 2.738 145 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.195 145 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.195 145 G C 0.008 174.926 174.900 0.031 0.000 1.001 145 G CA -0.059 45.058 45.100 0.029 0.000 0.759 145 G HN 0.602 nan 8.290 nan 0.000 0.494 146 T N 0.460 115.030 114.554 0.026 0.000 2.888 146 T HA 0.539 4.888 4.350 -0.000 0.000 0.284 146 T C 1.422 176.140 174.700 0.030 0.000 1.017 146 T CA 0.398 62.513 62.100 0.024 0.000 1.022 146 T CB 1.726 70.605 68.868 0.018 0.000 1.013 146 T HN 1.093 nan 8.240 nan 0.000 0.465 147 V N 1.246 121.180 119.914 0.033 0.000 3.596 147 V HA 0.588 4.708 4.120 -0.000 0.000 0.289 147 V C 1.206 177.332 176.094 0.053 0.000 1.336 147 V CA 0.287 62.613 62.300 0.044 0.000 1.137 147 V CB -1.413 30.437 31.823 0.045 0.000 0.966 147 V HN 1.382 nan 8.190 nan 0.000 0.428 153 L N -0.133 121.057 121.223 -0.055 0.000 1.990 153 L HA -0.218 4.122 4.340 -0.000 0.000 0.213 153 L C 2.398 179.210 176.870 -0.097 0.000 1.072 153 L CA 1.856 56.635 54.840 -0.101 0.000 0.755 153 L CB -0.943 41.035 42.059 -0.136 0.000 0.889 153 L HN 0.123 nan 8.230 nan 0.000 0.432 154 T N 0.297 114.821 114.554 -0.050 0.000 2.580 154 T HA -0.128 4.222 4.350 -0.000 0.000 0.265 154 T C -0.390 174.361 174.700 0.085 0.000 1.063 154 T CA 1.891 63.993 62.100 0.003 0.000 1.170 154 T CB -1.516 67.385 68.868 0.054 0.000 0.863 154 T HN 0.340 nan 8.240 nan 0.000 0.418 155 P HA -0.008 nan 4.420 nan 0.000 0.218 155 P C 1.601 178.923 177.300 0.037 0.000 1.148 155 P CA 1.042 64.184 63.100 0.071 0.000 0.822 155 P CB -0.244 31.465 31.700 0.016 0.000 0.784 156 L N -0.787 120.428 121.223 -0.013 0.000 2.156 156 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 156 L C 2.778 179.602 176.870 -0.078 0.000 1.095 156 L CA 1.194 56.008 54.840 -0.044 0.000 0.770 156 L CB -0.936 41.092 42.059 -0.052 0.000 0.914 156 L HN -0.054 nan 8.230 nan 0.000 0.439 157 A N -0.923 121.824 122.820 -0.123 0.000 1.898 157 A HA -0.218 4.101 4.320 -0.000 0.000 0.216 157 A C 2.104 179.563 177.584 -0.209 0.000 1.181 157 A CA 1.242 53.151 52.037 -0.213 0.000 0.620 157 A CB -0.686 18.120 19.000 -0.323 0.000 0.819 157 A HN 0.396 nan 8.150 nan 0.000 0.442 158 H N -1.185 117.826 119.070 -0.099 0.000 2.423 158 H HA -0.083 4.473 4.556 -0.000 0.000 0.297 158 H C 2.066 177.324 175.328 -0.117 0.000 1.075 158 H CA 1.702 57.693 56.048 -0.095 0.000 1.342 158 H CB -0.245 29.465 29.762 -0.085 0.000 1.395 158 H HN 0.604 nan 8.280 nan 0.000 0.530 159 M N 0.481 120.077 119.600 -0.006 0.000 2.086 159 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 159 M C 2.113 178.364 176.300 -0.081 0.000 1.067 159 M CA 1.336 56.597 55.300 -0.065 0.000 1.116 159 M CB -0.114 32.452 32.600 -0.056 0.000 1.348 159 M HN -0.010 nan 8.290 nan 0.000 0.407 160 V N 1.299 121.167 119.914 -0.077 0.000 2.332 160 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 160 V C 2.431 178.486 176.094 -0.066 0.000 1.055 160 V CA 1.821 64.078 62.300 -0.072 0.000 1.038 160 V CB -0.776 30.991 31.823 -0.093 0.000 0.651 160 V HN 0.547 nan 8.190 nan 0.000 0.450 161 L N -0.952 120.226 121.223 -0.076 0.000 2.046 161 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 161 L C 2.654 179.485 176.870 -0.064 0.000 1.077 161 L CA 1.575 56.385 54.840 -0.050 0.000 0.747 161 L CB -0.753 41.279 42.059 -0.044 0.000 0.896 161 L HN 0.401 nan 8.230 nan 0.000 0.432 162 C N -0.096 119.120 119.300 -0.140 0.000 2.432 162 C HA -0.160 4.300 4.460 -0.000 0.000 0.277 162 C C 2.681 177.558 174.990 -0.189 0.000 1.249 162 C CA 0.487 59.306 59.018 -0.331 0.000 1.725 162 C CB -0.848 26.559 27.740 -0.556 0.000 2.028 162 C HN 0.441 nan 8.230 nan 0.000 0.477 163 L N 0.279 121.468 121.223 -0.056 0.000 2.362 163 L HA -0.168 4.172 4.340 -0.000 0.000 0.219 163 L C 2.440 179.377 176.870 0.112 0.000 1.134 163 L CA 1.266 56.171 54.840 0.109 0.000 0.807 163 L CB -0.657 41.434 42.059 0.053 0.000 0.927 163 L HN 0.531 nan 8.230 nan 0.000 0.447 164 Q N -0.388 119.447 119.800 0.060 0.000 2.425 164 Q HA 0.102 4.442 4.340 -0.000 0.000 0.204 164 Q C 1.361 177.412 176.000 0.085 0.000 0.933 164 Q CA 0.523 56.359 55.803 0.056 0.000 0.939 164 Q CB 0.563 29.316 28.738 0.026 0.000 1.044 164 Q HN 0.560 nan 8.270 nan 0.000 0.513 165 G N 1.663 110.544 108.800 0.134 0.000 2.141 165 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.242 165 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.242 165 G C 0.478 175.442 174.900 0.106 0.000 0.982 165 G CA 0.025 45.228 45.100 0.173 0.000 0.662 165 G HN 0.303 nan 8.290 nan 0.000 0.527 166 R N 0.106 120.641 120.500 0.059 0.000 2.552 166 R HA 0.481 4.821 4.340 -0.000 0.000 0.314 166 R C 0.963 177.271 176.300 0.012 0.000 1.041 166 R CA 0.494 56.617 56.100 0.038 0.000 1.076 166 R CB 0.790 31.114 30.300 0.039 0.000 1.290 166 R HN 0.544 nan 8.270 nan 0.000 0.563 167 G N -0.295 108.497 108.800 -0.015 0.000 2.698 167 G HA2 0.215 4.175 3.960 -0.000 0.000 0.293 167 G HA3 0.215 4.175 3.960 -0.000 0.000 0.293 167 G C -1.536 173.293 174.900 -0.119 0.000 1.437 167 G CA -0.695 44.365 45.100 -0.066 0.000 0.852 167 G HN -0.107 nan 8.290 nan 0.000 0.499 168 D N -0.492 119.850 120.400 -0.097 0.000 2.357 168 D HA 0.556 5.196 4.640 -0.000 0.000 0.242 168 D C -0.475 175.704 176.300 -0.203 0.000 1.153 168 D CA 0.649 54.622 54.000 -0.045 0.000 0.918 168 D CB 0.783 41.583 40.800 -0.000 0.000 1.181 168 D HN 0.102 nan 8.370 nan 0.000 0.435 169 F N -0.400 119.574 119.950 0.040 0.000 2.598 169 F HA 0.525 5.052 4.527 -0.000 0.000 0.327 169 F C -0.223 175.624 175.800 0.078 0.000 1.057 169 F CA -0.904 57.129 58.000 0.054 0.000 0.957 169 F CB 1.184 40.217 39.000 0.055 0.000 1.278 169 F HN -0.052 nan 8.300 nan 0.000 0.484 170 L N 1.662 123.090 121.223 0.342 0.000 2.365 170 L HA 0.426 4.766 4.340 -0.000 0.000 0.273 170 L C -1.064 176.029 176.870 0.372 0.000 1.000 170 L CA -1.069 53.948 54.840 0.295 0.000 0.819 170 L CB 1.868 44.106 42.059 0.299 0.000 1.284 170 L HN 0.592 nan 8.230 nan 0.000 0.418 171 D N 1.093 121.606 120.400 0.188 0.000 2.432 171 D HA 0.209 4.849 4.640 -0.000 0.000 0.258 171 D C 0.836 176.979 176.300 -0.262 0.000 1.146 171 D CA -0.660 53.374 54.000 0.058 0.000 1.015 171 D CB 0.766 41.556 40.800 -0.017 0.000 1.107 171 D HN 0.322 nan 8.370 nan 0.000 0.529 172 R N -0.466 119.606 120.500 -0.713 0.000 2.226 172 R HA -0.123 4.217 4.340 -0.000 0.000 0.246 172 R C 0.483 176.431 176.300 -0.587 0.000 1.161 172 R CA 1.443 56.770 56.100 -1.287 0.000 0.997 172 R CB -0.253 29.398 30.300 -1.082 0.000 0.870 172 R HN 0.533 nan 8.270 nan 0.000 0.465 173 D N -1.188 119.031 120.400 -0.303 0.000 2.349 173 D HA 0.055 4.695 4.640 -0.000 0.000 0.215 173 D C 1.191 177.452 176.300 -0.066 0.000 1.016 173 D CA 0.970 54.879 54.000 -0.152 0.000 0.870 173 D CB 0.790 41.526 40.800 -0.108 0.000 0.917 173 D HN 0.453 nan 8.370 nan 0.000 0.524 174 G N 1.048 109.831 108.800 -0.029 0.000 2.175 174 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 174 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 174 G C 0.531 175.455 174.900 0.041 0.000 0.982 174 G CA 0.158 45.283 45.100 0.041 0.000 0.641 174 G HN 0.270 nan 8.290 nan 0.000 0.527 175 T N 2.102 116.670 114.554 0.022 0.000 2.888 175 T HA 0.446 4.796 4.350 -0.000 0.000 0.301 175 T C 0.834 175.569 174.700 0.059 0.000 1.001 175 T CA 0.061 62.178 62.100 0.028 0.000 1.147 175 T CB 0.789 69.664 68.868 0.011 0.000 0.931 175 T HN 0.407 nan 8.240 nan 0.000 0.541 176 R N 2.456 122.990 120.500 0.056 0.000 2.410 176 R HA 0.595 4.935 4.340 -0.000 0.000 0.288 176 R C -0.483 175.866 176.300 0.082 0.000 1.051 176 R CA -0.551 55.594 56.100 0.075 0.000 1.021 176 R CB 0.730 31.062 30.300 0.053 0.000 1.032 176 R HN 0.497 nan 8.270 nan 0.000 0.481 177 L N 1.729 123.026 121.223 0.123 0.000 2.370 177 L HA 0.338 4.678 4.340 -0.000 0.000 0.266 177 L C -0.365 176.599 176.870 0.157 0.000 1.002 177 L CA -1.266 53.649 54.840 0.125 0.000 0.818 177 L CB 2.056 44.197 42.059 0.137 0.000 1.325 177 L HN 0.666 nan 8.230 nan 0.000 0.418 178 D N 0.815 121.287 120.400 0.121 0.000 2.371 178 D HA 0.163 4.803 4.640 -0.000 0.000 0.242 178 D C 1.269 177.692 176.300 0.206 0.000 1.218 178 D CA -0.070 54.005 54.000 0.125 0.000 0.945 178 D CB 0.824 41.671 40.800 0.078 0.000 1.137 178 D HN 0.572 nan 8.370 nan 0.000 0.464 179 G N -0.166 108.750 108.800 0.195 0.000 2.529 179 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 179 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 179 G C 1.505 176.544 174.900 0.231 0.000 1.177 179 G CA 1.752 47.022 45.100 0.284 0.000 0.773 179 G HN 0.692 nan 8.290 nan 0.000 0.573 180 A N 0.667 123.560 122.820 0.122 0.000 1.902 180 A HA -0.058 4.261 4.320 -0.000 0.000 0.217 180 A C 2.220 179.822 177.584 0.030 0.000 1.181 180 A CA 2.348 54.424 52.037 0.066 0.000 0.623 180 A CB -0.491 18.537 19.000 0.046 0.000 0.818 180 A HN 0.440 nan 8.150 nan 0.000 0.443 181 E N 0.172 120.396 120.200 0.041 0.000 2.110 181 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 181 E C 1.939 178.507 176.600 -0.055 0.000 0.988 181 E CA 1.663 58.068 56.400 0.007 0.000 0.804 181 E CB -0.845 28.873 29.700 0.031 0.000 0.745 181 E HN 0.394 nan 8.360 nan 0.000 0.458 182 G N 0.739 109.500 108.800 -0.064 0.000 2.404 182 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.215 182 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.215 182 G C 1.628 176.170 174.900 -0.597 0.000 1.174 182 G CA 0.891 45.722 45.100 -0.449 0.000 0.780 182 G HN 0.314 nan 8.290 nan 0.000 0.537 183 L N -0.196 120.813 121.223 -0.357 0.000 2.083 183 L HA -0.054 4.286 4.340 -0.000 0.000 0.209 183 L C 2.935 179.711 176.870 -0.155 0.000 1.083 183 L CA 1.205 55.910 54.840 -0.226 0.000 0.752 183 L CB -0.379 41.649 42.059 -0.052 0.000 0.899 183 L HN 0.210 nan 8.230 nan 0.000 0.433 184 R N 0.460 120.892 120.500 -0.113 0.000 2.064 184 R HA -0.187 4.153 4.340 -0.000 0.000 0.228 184 R C 2.536 178.783 176.300 -0.087 0.000 1.144 184 R CA 1.626 57.681 56.100 -0.075 0.000 0.932 184 R CB -0.219 30.053 30.300 -0.046 0.000 0.833 184 R HN 0.148 nan 8.270 nan 0.000 0.429 185 R N -0.460 119.980 120.500 -0.100 0.000 2.096 185 R HA -0.124 4.216 4.340 -0.000 0.000 0.240 185 R C 2.001 178.243 176.300 -0.096 0.000 1.139 185 R CA 2.005 58.053 56.100 -0.086 0.000 0.952 185 R CB -0.639 29.613 30.300 -0.080 0.000 0.854 185 R HN 0.443 nan 8.270 nan 0.000 0.436 186 G N -0.416 108.289 108.800 -0.157 0.000 2.813 186 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.209 186 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.209 186 G C -0.099 174.743 174.900 -0.096 0.000 1.150 186 G CA 0.101 45.121 45.100 -0.133 0.000 0.785 186 G HN 0.414 nan 8.290 nan 0.000 0.535 187 R N -1.287 119.158 120.500 -0.092 0.000 3.332 187 R HA -0.129 4.211 4.340 -0.000 0.000 0.263 187 R C -0.596 175.669 176.300 -0.058 0.000 1.053 187 R CA 0.218 56.281 56.100 -0.061 0.000 0.705 187 R CB -2.361 27.914 30.300 -0.040 0.000 1.166 187 R HN 0.340 nan 8.270 nan 0.000 0.427 188 L N 0.474 121.650 121.223 -0.079 0.000 2.334 188 L HA 0.422 4.762 4.340 -0.000 0.000 0.272 188 L C 0.716 177.568 176.870 -0.030 0.000 1.020 188 L CA -1.088 53.718 54.840 -0.056 0.000 0.812 188 L CB 1.345 43.356 42.059 -0.081 0.000 1.264 188 L HN 0.004 nan 8.230 nan 0.000 0.439 189 Q N 2.242 122.037 119.800 -0.009 0.000 2.245 189 Q HA 0.413 4.753 4.340 -0.000 0.000 0.256 189 Q C -2.342 173.669 176.000 0.019 0.000 0.942 189 Q CA -1.913 53.891 55.803 0.001 0.000 0.896 189 Q CB 1.651 30.388 28.738 -0.002 0.000 1.272 189 Q HN 0.312 nan 8.270 nan 0.000 0.442 190 P HA 0.018 nan 4.420 nan 0.000 0.271 190 P C -0.248 177.069 177.300 0.028 0.000 1.216 190 P CA -0.542 62.582 63.100 0.040 0.000 0.776 190 P CB 0.669 32.390 31.700 0.035 0.000 0.881 191 L N 2.969 124.212 121.223 0.033 0.000 2.499 191 L HA 0.116 4.456 4.340 -0.000 0.000 0.273 191 L C 0.093 176.965 176.870 0.003 0.000 1.195 191 L CA 0.821 55.670 54.840 0.015 0.000 0.882 191 L CB -0.593 41.474 42.059 0.013 0.000 1.133 191 L HN 0.321 nan 8.230 nan 0.000 0.483 192 D N 5.023 125.418 120.400 -0.008 0.000 2.446 192 D HA 0.260 4.900 4.640 -0.000 0.000 0.251 192 D C -0.844 175.440 176.300 -0.027 0.000 1.137 192 D CA -0.264 53.727 54.000 -0.016 0.000 0.890 192 D CB 0.291 41.080 40.800 -0.018 0.000 1.071 192 D HN 0.487 nan 8.370 nan 0.000 0.528 193 L N 2.349 123.557 121.223 -0.026 0.000 2.367 193 L HA 0.329 4.669 4.340 -0.000 0.000 0.275 193 L C 0.652 177.502 176.870 -0.033 0.000 1.129 193 L CA -0.220 54.603 54.840 -0.027 0.000 0.839 193 L CB 1.103 43.147 42.059 -0.025 0.000 1.133 193 L HN 0.300 nan 8.230 nan 0.000 0.453 194 S N 1.851 117.522 115.700 -0.049 0.000 2.568 194 S HA 0.496 4.966 4.470 -0.000 0.000 0.293 194 S C 0.075 174.675 174.600 -0.000 0.000 1.089 194 S CA -0.349 57.795 58.200 -0.094 0.000 0.945 194 S CB 0.785 63.834 63.200 -0.252 0.000 1.077 194 S HN 0.942 nan 8.310 nan 0.000 0.485 195 H N 1.636 120.704 119.070 -0.003 0.000 1.452 195 H HA -0.283 4.273 4.556 -0.000 0.000 0.090 195 H C 1.040 176.384 175.328 0.027 0.000 0.989 195 H CA 1.718 57.766 56.048 0.001 0.000 1.901 195 H CB -0.642 29.105 29.762 -0.024 0.000 2.257 195 H HN 0.788 nan 8.280 nan 0.000 0.961 196 R N 1.907 122.529 120.500 0.204 0.000 2.466 196 R HA 0.078 4.418 4.340 -0.000 0.000 0.279 196 R C 0.179 176.557 176.300 0.130 0.000 0.976 196 R CA 0.584 56.784 56.100 0.166 0.000 1.081 196 R CB 0.386 30.817 30.300 0.219 0.000 1.215 196 R HN 0.299 nan 8.270 nan 0.000 0.546 197 D N 2.382 122.838 120.400 0.092 0.000 2.172 197 D HA -0.217 4.423 4.640 -0.000 0.000 0.196 197 D C 1.871 178.190 176.300 0.032 0.000 0.999 197 D CA 1.941 55.973 54.000 0.053 0.000 0.856 197 D CB -0.079 40.731 40.800 0.018 0.000 0.934 197 D HN 0.472 nan 8.370 nan 0.000 0.453 198 A N 0.547 123.380 122.820 0.022 0.000 1.865 198 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 198 A C 2.162 179.730 177.584 -0.027 0.000 1.191 198 A CA 1.232 53.255 52.037 -0.024 0.000 0.623 198 A CB -0.773 18.204 19.000 -0.039 0.000 0.826 198 A HN 0.258 nan 8.150 nan 0.000 0.444 199 L N -0.468 120.775 121.223 0.034 0.000 2.109 199 L HA 0.044 4.384 4.340 -0.000 0.000 0.207 199 L C 2.699 179.606 176.870 0.060 0.000 1.086 199 L CA 1.933 56.804 54.840 0.051 0.000 0.760 199 L CB -0.866 41.300 42.059 0.177 0.000 0.910 199 L HN 0.360 nan 8.230 nan 0.000 0.437 200 A N -0.493 122.378 122.820 0.084 0.000 1.908 200 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 200 A C 2.216 179.822 177.584 0.037 0.000 1.181 200 A CA 2.077 54.163 52.037 0.080 0.000 0.627 200 A CB -0.923 18.137 19.000 0.100 0.000 0.818 200 A HN 0.478 nan 8.150 nan 0.000 0.445 201 L N -1.009 120.221 121.223 0.012 0.000 2.376 201 L HA -0.037 4.303 4.340 -0.000 0.000 0.219 201 L C 1.832 178.683 176.870 -0.032 0.000 1.133 201 L CA 0.356 55.188 54.840 -0.012 0.000 0.816 201 L CB 0.032 42.076 42.059 -0.025 0.000 0.933 201 L HN 0.260 nan 8.230 nan 0.000 0.449 202 V N -1.719 118.170 119.914 -0.042 0.000 3.570 202 V HA 0.079 4.199 4.120 -0.000 0.000 0.257 202 V C 0.779 176.842 176.094 -0.052 0.000 1.272 202 V CA 0.273 62.530 62.300 -0.072 0.000 1.079 202 V CB 0.270 32.007 31.823 -0.144 0.000 0.829 202 V HN 0.294 nan 8.190 nan 0.000 0.454 203 N N 1.392 120.085 118.700 -0.011 0.000 3.052 203 N HA 0.377 5.117 4.740 -0.000 0.000 0.302 203 N C 0.076 175.641 175.510 0.092 0.000 1.332 203 N CA 0.469 53.529 53.050 0.018 0.000 1.129 203 N CB 0.146 38.667 38.487 0.058 0.000 1.436 203 N HN 0.479 nan 8.380 nan 0.000 0.536 204 G N -1.788 107.054 108.800 0.070 0.000 2.870 204 G HA2 0.280 4.240 3.960 -0.000 0.000 0.299 204 G HA3 0.280 4.240 3.960 -0.000 0.000 0.299 204 G C -0.106 174.839 174.900 0.076 0.000 1.324 204 G CA -0.440 44.716 45.100 0.093 0.000 0.808 204 G HN 0.167 nan 8.290 nan 0.000 0.535 205 T N -2.085 112.501 114.554 0.054 0.000 3.243 205 T HA 0.285 4.635 4.350 -0.000 0.000 0.264 205 T C 1.503 176.211 174.700 0.013 0.000 1.000 205 T CA 0.652 62.776 62.100 0.039 0.000 0.901 205 T CB 0.306 69.194 68.868 0.033 0.000 1.083 205 T HN 0.219 nan 8.240 nan 0.000 0.559 206 S N 1.463 117.166 115.700 0.005 0.000 2.399 206 S HA -0.005 4.465 4.470 -0.000 0.000 0.231 206 S C 2.433 177.026 174.600 -0.011 0.000 1.022 206 S CA 1.062 59.256 58.200 -0.010 0.000 0.983 206 S CB -0.482 62.709 63.200 -0.016 0.000 0.803 206 S HN 0.823 nan 8.310 nan 0.000 0.480 207 A N 2.667 125.484 122.820 -0.005 0.000 1.872 207 A HA -0.053 4.267 4.320 -0.000 0.000 0.214 207 A C 2.258 179.845 177.584 0.006 0.000 1.187 207 A CA 1.604 53.639 52.037 -0.004 0.000 0.614 207 A CB -0.740 18.259 19.000 -0.000 0.000 0.826 207 A HN 0.653 nan 8.150 nan 0.000 0.442 208 M N -1.680 117.928 119.600 0.014 0.000 2.229 208 M HA -0.061 4.419 4.480 -0.000 0.000 0.264 208 M C 1.780 178.090 176.300 0.016 0.000 1.063 208 M CA 2.215 57.528 55.300 0.022 0.000 1.114 208 M CB -1.223 31.393 32.600 0.027 0.000 1.387 208 M HN 0.131 nan 8.290 nan 0.000 0.420 209 T N 1.182 115.736 114.554 0.000 0.000 2.777 209 T HA 0.013 4.363 4.350 -0.000 0.000 0.266 209 T C 1.966 176.665 174.700 -0.001 0.000 1.040 209 T CA 1.626 63.718 62.100 -0.014 0.000 1.141 209 T CB -0.676 68.175 68.868 -0.028 0.000 0.868 209 T HN 0.717 nan 8.240 nan 0.000 0.444 210 G N 1.246 110.044 108.800 -0.004 0.000 2.402 210 G HA2 -0.109 3.850 3.960 -0.000 0.000 0.216 210 G HA3 -0.109 3.850 3.960 -0.000 0.000 0.216 210 G C 1.521 176.436 174.900 0.024 0.000 1.162 210 G CA 0.428 45.525 45.100 -0.005 0.000 0.777 210 G HN 0.480 nan 8.290 nan 0.000 0.539 211 I N 1.430 122.020 120.570 0.032 0.000 2.226 211 I HA -0.162 4.007 4.170 -0.000 0.000 0.245 211 I C 3.277 179.448 176.117 0.090 0.000 1.100 211 I CA 1.016 62.350 61.300 0.056 0.000 1.374 211 I CB -0.197 37.833 38.000 0.051 0.000 1.057 211 I HN 0.233 nan 8.210 nan 0.000 0.413 212 A N 1.327 124.204 122.820 0.095 0.000 1.933 212 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 212 A C 2.251 179.949 177.584 0.189 0.000 1.175 212 A CA 1.839 53.974 52.037 0.163 0.000 0.628 212 A CB -0.860 18.209 19.000 0.115 0.000 0.814 212 A HN 0.525 nan 8.150 nan 0.000 0.444 213 L N -2.210 119.086 121.223 0.121 0.000 2.201 213 L HA 0.025 4.365 4.340 -0.000 0.000 0.212 213 L C 1.933 178.919 176.870 0.193 0.000 1.105 213 L CA 1.449 56.370 54.840 0.136 0.000 0.775 213 L CB -0.966 41.140 42.059 0.079 0.000 0.913 213 L HN 0.002 nan 8.230 nan 0.000 0.440 214 V N 0.810 120.835 119.914 0.185 0.000 2.453 214 V HA -0.138 3.982 4.120 -0.000 0.000 0.247 214 V C 2.395 178.612 176.094 0.204 0.000 1.048 214 V CA 1.602 64.046 62.300 0.241 0.000 1.049 214 V CB -0.870 31.059 31.823 0.176 0.000 0.672 214 V HN 0.508 nan 8.190 nan 0.000 0.457 215 N N 0.928 119.723 118.700 0.158 0.000 2.142 215 N HA -0.102 4.638 4.740 -0.000 0.000 0.186 215 N C 1.928 177.490 175.510 0.086 0.000 1.023 215 N CA 1.632 54.750 53.050 0.113 0.000 0.852 215 N CB -0.524 38.008 38.487 0.075 0.000 0.998 215 N HN 0.467 nan 8.380 nan 0.000 0.424 216 A N 0.468 123.363 122.820 0.126 0.000 1.908 216 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 216 A C 2.122 179.731 177.584 0.040 0.000 1.181 216 A CA 1.896 53.992 52.037 0.099 0.000 0.627 216 A CB -0.961 18.162 19.000 0.204 0.000 0.818 216 A HN 0.458 nan 8.150 nan 0.000 0.445 217 H N -0.311 118.732 119.070 -0.045 0.000 2.326 217 H HA 0.068 4.624 4.556 -0.000 0.000 0.301 217 H C 2.228 177.487 175.328 -0.115 0.000 1.081 217 H CA 1.968 57.904 56.048 -0.187 0.000 1.334 217 H CB -0.238 29.253 29.762 -0.450 0.000 1.385 217 H HN 0.394 nan 8.280 nan 0.000 0.504 218 A N -0.283 122.586 122.820 0.081 0.000 1.902 218 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 218 A C 2.705 180.299 177.584 0.016 0.000 1.181 218 A CA 1.529 53.619 52.037 0.088 0.000 0.623 218 A CB -1.252 17.824 19.000 0.127 0.000 0.818 218 A HN 0.655 nan 8.150 nan 0.000 0.443 219 C N -1.322 118.001 119.300 0.037 0.000 2.422 219 C HA -0.040 4.420 4.460 -0.000 0.000 0.279 219 C C 2.796 177.791 174.990 0.007 0.000 1.305 219 C CA 1.161 60.245 59.018 0.109 0.000 1.757 219 C CB -1.324 26.505 27.740 0.147 0.000 1.962 219 C HN 0.733 nan 8.230 nan 0.000 0.499 220 R N -0.170 120.233 120.500 -0.162 0.000 2.081 220 R HA -0.129 4.210 4.340 -0.000 0.000 0.235 220 R C 2.247 178.362 176.300 -0.308 0.000 1.131 220 R CA 1.540 57.463 56.100 -0.295 0.000 0.960 220 R CB -0.420 29.604 30.300 -0.461 0.000 0.856 220 R HN 0.605 nan 8.270 nan 0.000 0.436 221 H N 0.586 119.537 119.070 -0.199 0.000 2.326 221 H HA -0.088 4.468 4.556 -0.000 0.000 0.301 221 H C 2.194 177.519 175.328 -0.004 0.000 1.081 221 H CA 1.664 57.642 56.048 -0.116 0.000 1.334 221 H CB -0.227 29.471 29.762 -0.106 0.000 1.385 221 H HN 0.240 nan 8.280 nan 0.000 0.504 222 L N -0.172 121.038 121.223 -0.023 0.000 2.083 222 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 222 L C 2.753 179.490 176.870 -0.221 0.000 1.083 222 L CA 1.067 55.711 54.840 -0.326 0.000 0.752 222 L CB -0.784 40.687 42.059 -0.980 0.000 0.899 222 L HN 0.300 nan 8.230 nan 0.000 0.433 223 G N -0.125 108.679 108.800 0.007 0.000 2.422 223 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 223 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 223 G C 1.400 176.391 174.900 0.151 0.000 1.146 223 G CA 0.510 45.783 45.100 0.289 0.000 0.769 223 G HN 0.317 nan 8.290 nan 0.000 0.547 224 N N -0.043 118.641 118.700 -0.026 0.000 2.244 224 N HA -0.075 4.665 4.740 -0.000 0.000 0.183 224 N C 1.809 177.224 175.510 -0.157 0.000 1.016 224 N CA 0.758 53.730 53.050 -0.129 0.000 0.866 224 N CB -0.280 38.074 38.487 -0.221 0.000 0.980 224 N HN 0.579 nan 8.380 nan 0.000 0.430 225 W N 1.541 122.800 121.300 -0.069 0.000 2.418 225 W HA 0.106 4.766 4.660 -0.000 0.000 0.292 225 W C 2.479 178.976 176.519 -0.036 0.000 1.213 225 W CA 1.000 58.300 57.345 -0.075 0.000 1.283 225 W CB -0.359 29.011 29.460 -0.150 0.000 1.119 225 W HN 0.011 nan 8.180 nan 0.000 0.542 226 A N -0.153 122.794 122.820 0.213 0.000 1.908 226 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 226 A C 1.981 179.653 177.584 0.147 0.000 1.181 226 A CA 2.154 54.327 52.037 0.226 0.000 0.627 226 A CB -1.086 18.138 19.000 0.374 0.000 0.818 226 A HN 0.098 nan 8.150 nan 0.000 0.445 227 V N -0.382 119.603 119.914 0.118 0.000 2.323 227 V HA -0.184 3.936 4.120 -0.000 0.000 0.244 227 V C 3.060 179.134 176.094 -0.032 0.000 1.041 227 V CA 1.821 64.132 62.300 0.019 0.000 1.025 227 V CB -1.153 30.685 31.823 0.025 0.000 0.656 227 V HN 0.612 nan 8.190 nan 0.000 0.451 228 A N -0.210 122.582 122.820 -0.045 0.000 1.902 228 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 228 A C 2.186 179.784 177.584 0.024 0.000 1.181 228 A CA 1.779 53.776 52.037 -0.067 0.000 0.623 228 A CB -0.514 18.355 19.000 -0.218 0.000 0.818 228 A HN 0.510 nan 8.150 nan 0.000 0.443 229 L N -1.051 120.229 121.223 0.095 0.000 2.156 229 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 229 L C 2.656 179.588 176.870 0.103 0.000 1.095 229 L CA 1.511 56.425 54.840 0.124 0.000 0.770 229 L CB -0.858 41.300 42.059 0.164 0.000 0.914 229 L HN 0.315 nan 8.230 nan 0.000 0.439 230 T N 0.119 114.725 114.554 0.086 0.000 2.821 230 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 230 T C 2.042 176.844 174.700 0.170 0.000 1.046 230 T CA 1.278 63.440 62.100 0.103 0.000 1.139 230 T CB -0.104 68.779 68.868 0.025 0.000 0.871 230 T HN 0.431 nan 8.240 nan 0.000 0.454 231 A N 1.303 124.186 122.820 0.104 0.000 1.873 231 A HA 0.020 4.340 4.320 -0.000 0.000 0.215 231 A C 2.199 179.895 177.584 0.187 0.000 1.186 231 A CA 1.113 53.267 52.037 0.196 0.000 0.616 231 A CB -0.813 18.237 19.000 0.083 0.000 0.823 231 A HN 0.389 nan 8.150 nan 0.000 0.442 232 L N -0.695 120.598 121.223 0.117 0.000 2.083 232 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 232 L C 2.218 179.145 176.870 0.095 0.000 1.083 232 L CA 1.770 56.666 54.840 0.093 0.000 0.752 232 L CB -0.704 41.401 42.059 0.076 0.000 0.899 232 L HN 0.381 nan 8.230 nan 0.000 0.433 233 L N -0.170 121.120 121.223 0.111 0.000 2.012 233 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 233 L C 2.524 179.456 176.870 0.102 0.000 1.073 233 L CA 2.141 57.040 54.840 0.098 0.000 0.748 233 L CB -1.096 41.032 42.059 0.114 0.000 0.891 233 L HN 0.269 nan 8.230 nan 0.000 0.431 234 A N -0.778 122.138 122.820 0.160 0.000 1.908 234 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 234 A C 2.126 179.741 177.584 0.053 0.000 1.181 234 A CA 1.914 54.013 52.037 0.105 0.000 0.627 234 A CB -0.673 18.421 19.000 0.156 0.000 0.818 234 A HN 0.653 nan 8.150 nan 0.000 0.445 235 E N -1.060 119.184 120.200 0.074 0.000 2.204 235 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 235 E C 1.781 178.400 176.600 0.032 0.000 0.989 235 E CA 1.078 57.507 56.400 0.048 0.000 0.824 235 E CB -0.292 29.442 29.700 0.056 0.000 0.756 235 E HN 0.690 nan 8.360 nan 0.000 0.477 236 C N 0.059 119.379 119.300 0.034 0.000 2.533 236 C HA 0.127 4.587 4.460 -0.000 0.000 0.272 236 C C 1.777 176.773 174.990 0.010 0.000 1.371 236 C CA 0.072 59.102 59.018 0.019 0.000 1.758 236 C CB -0.271 27.479 27.740 0.016 0.000 1.972 236 C HN 0.309 nan 8.230 nan 0.000 0.522 237 L N -0.099 121.131 121.223 0.011 0.000 3.168 237 L HA 0.289 4.629 4.340 -0.000 0.000 0.277 237 L C 0.326 177.189 176.870 -0.010 0.000 1.245 237 L CA -0.096 54.744 54.840 0.000 0.000 1.035 237 L CB -0.303 41.760 42.059 0.005 0.000 1.399 237 L HN 0.212 nan 8.230 nan 0.000 0.580 238 R N 0.705 121.199 120.500 -0.011 0.000 3.333 238 R HA -0.155 4.185 4.340 -0.000 0.000 0.256 238 R C 0.683 176.955 176.300 -0.048 0.000 1.010 238 R CA 0.441 56.528 56.100 -0.022 0.000 0.680 238 R CB -1.871 28.419 30.300 -0.018 0.000 1.102 238 R HN 0.515 nan 8.270 nan 0.000 0.440 239 G N 0.640 109.400 108.800 -0.067 0.000 2.544 239 G HA2 0.200 4.160 3.960 -0.000 0.000 0.242 239 G HA3 0.200 4.160 3.960 -0.000 0.000 0.242 239 G C 0.040 174.809 174.900 -0.219 0.000 1.247 239 G CA -0.587 44.429 45.100 -0.140 0.000 0.840 239 G HN 0.249 nan 8.290 nan 0.000 0.578 240 R N 0.471 120.805 120.500 -0.276 0.000 2.221 240 R HA 0.237 4.577 4.340 -0.000 0.000 0.327 240 R C 1.516 177.515 176.300 -0.502 0.000 1.033 240 R CA 0.169 56.100 56.100 -0.281 0.000 0.887 240 R CB 0.931 31.120 30.300 -0.185 0.000 1.057 240 R HN 0.701 nan 8.270 nan 0.000 0.455 241 T N -1.237 113.078 114.554 -0.399 0.000 3.085 241 T HA -0.127 4.222 4.350 -0.000 0.000 0.263 241 T C 1.425 175.979 174.700 -0.244 0.000 1.127 241 T CA 0.845 62.694 62.100 -0.418 0.000 1.103 241 T CB -0.029 68.745 68.868 -0.156 0.000 0.921 241 T HN 0.742 nan 8.240 nan 0.000 0.510 242 E N 1.813 121.906 120.200 -0.178 0.000 2.265 242 E HA -0.027 4.323 4.350 -0.000 0.000 0.196 242 E C 2.217 178.780 176.600 -0.062 0.000 0.996 242 E CA 0.922 57.272 56.400 -0.083 0.000 0.832 242 E CB -0.561 29.105 29.700 -0.056 0.000 0.756 242 E HN 0.607 nan 8.360 nan 0.000 0.491 243 A N 0.806 123.535 122.820 -0.152 0.000 2.067 243 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 243 A C 1.020 178.713 177.584 0.183 0.000 1.158 243 A CA 0.679 52.688 52.037 -0.048 0.000 0.661 243 A CB -0.601 18.326 19.000 -0.121 0.000 0.801 243 A HN 0.498 nan 8.150 nan 0.000 0.452 244 W N -0.202 121.100 121.300 0.004 0.000 3.330 244 W HA 0.600 5.260 4.660 -0.000 0.000 0.348 244 W C 0.798 177.320 176.519 0.005 0.000 1.205 244 W CA -1.084 56.264 57.345 0.006 0.000 1.841 244 W CB -1.368 28.098 29.460 0.010 0.000 1.084 244 W HN 0.347 nan 8.180 nan 0.000 0.665 245 A N 0.849 123.777 122.820 0.181 0.000 2.498 245 A HA 0.430 4.750 4.320 -0.000 0.000 0.239 245 A C 1.687 179.325 177.584 0.090 0.000 1.068 245 A CA 0.688 52.789 52.037 0.106 0.000 0.766 245 A CB 0.584 19.619 19.000 0.058 0.000 1.003 245 A HN 0.257 nan 8.150 nan 0.000 0.497 246 A N 2.568 125.429 122.820 0.068 0.000 1.978 246 A HA 0.097 4.417 4.320 -0.000 0.000 0.220 246 A C 2.369 179.975 177.584 0.037 0.000 1.170 246 A CA 2.307 54.374 52.037 0.050 0.000 0.636 246 A CB -0.957 18.066 19.000 0.038 0.000 0.810 246 A HN 1.760 nan 8.150 nan 0.000 0.448 247 A N -0.188 122.652 122.820 0.033 0.000 1.940 247 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 247 A C 2.153 179.750 177.584 0.022 0.000 1.176 247 A CA 1.598 53.648 52.037 0.022 0.000 0.631 247 A CB -0.578 18.432 19.000 0.018 0.000 0.814 247 A HN 0.501 nan 8.150 nan 0.000 0.446 248 L N -0.573 120.670 121.223 0.033 0.000 2.093 248 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 248 L C 2.851 179.738 176.870 0.029 0.000 1.085 248 L CA 1.412 56.271 54.840 0.032 0.000 0.755 248 L CB -0.431 41.657 42.059 0.047 0.000 0.904 248 L HN 0.344 nan 8.230 nan 0.000 0.435 249 S N -0.304 115.418 115.700 0.037 0.000 2.368 249 S HA -0.182 4.288 4.470 -0.000 0.000 0.225 249 S C 1.500 176.108 174.600 0.013 0.000 1.030 249 S CA 1.349 59.568 58.200 0.032 0.000 0.999 249 S CB -0.301 62.922 63.200 0.039 0.000 0.844 249 S HN 0.453 nan 8.310 nan 0.000 0.459 250 D N 1.467 121.873 120.400 0.009 0.000 2.178 250 D HA -0.029 4.610 4.640 -0.000 0.000 0.201 250 D C 1.739 178.030 176.300 -0.015 0.000 0.980 250 D CA 0.712 54.710 54.000 -0.003 0.000 0.842 250 D CB -0.264 40.537 40.800 0.001 0.000 0.948 250 D HN 0.339 nan 8.370 nan 0.000 0.472 251 L N -0.510 120.707 121.223 -0.010 0.000 2.291 251 L HA 0.010 4.350 4.340 -0.000 0.000 0.214 251 L C 1.574 178.423 176.870 -0.035 0.000 1.120 251 L CA 0.529 55.358 54.840 -0.018 0.000 0.799 251 L CB 0.139 42.193 42.059 -0.008 0.000 0.925 251 L HN -0.176 nan 8.230 nan 0.000 0.446 252 R N 0.678 121.156 120.500 -0.037 0.000 2.644 252 R HA 0.188 4.528 4.340 -0.000 0.000 0.271 252 R C -2.150 174.091 176.300 -0.099 0.000 1.687 252 R CA -1.354 54.702 56.100 -0.073 0.000 1.655 252 R CB 0.870 31.167 30.300 -0.005 0.000 1.285 252 R HN -0.145 nan 8.270 nan 0.000 0.643 253 P HA -0.108 nan 4.420 nan 0.000 0.311 253 P C -0.649 176.590 177.300 -0.101 0.000 1.543 253 P CA 0.336 63.376 63.100 -0.099 0.000 0.766 253 P CB -0.340 31.309 31.700 -0.085 0.000 1.711 254 H N 0.753 119.825 119.070 0.002 0.000 2.848 254 H HA 0.079 4.635 4.556 -0.000 0.000 0.317 254 H C -1.267 174.074 175.328 0.021 0.000 1.046 254 H CA -1.444 54.608 56.048 0.007 0.000 1.470 254 H CB 0.447 30.208 29.762 -0.002 0.000 1.483 254 H HN 0.075 nan 8.280 nan 0.000 0.548 255 P HA -0.176 nan 4.420 nan 0.000 0.216 255 P C 1.648 179.022 177.300 0.123 0.000 1.157 255 P CA 1.790 64.953 63.100 0.105 0.000 0.880 255 P CB 0.107 31.862 31.700 0.092 0.000 0.791 256 G N -0.541 108.349 108.800 0.151 0.000 2.422 256 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.218 256 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.218 256 G C 1.679 176.682 174.900 0.171 0.000 1.146 256 G CA 0.716 45.937 45.100 0.201 0.000 0.769 256 G HN 0.322 nan 8.290 nan 0.000 0.547 257 Q N 0.114 119.979 119.800 0.108 0.000 2.079 257 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 257 Q C 2.477 178.517 176.000 0.065 0.000 0.974 257 Q CA 1.586 57.425 55.803 0.061 0.000 0.840 257 Q CB -0.196 28.591 28.738 0.082 0.000 0.898 257 Q HN 0.517 nan 8.270 nan 0.000 0.430 258 K N 0.170 120.617 120.400 0.078 0.000 2.063 258 K HA -0.233 4.087 4.320 -0.000 0.000 0.208 258 K C 1.677 178.308 176.600 0.053 0.000 1.048 258 K CA 1.911 58.232 56.287 0.056 0.000 0.928 258 K CB -0.175 32.355 32.500 0.049 0.000 0.713 258 K HN 0.188 nan 8.250 nan 0.000 0.442 259 D N -0.167 120.278 120.400 0.076 0.000 2.117 259 D HA -0.097 4.543 4.640 -0.000 0.000 0.198 259 D C 1.711 178.063 176.300 0.086 0.000 0.982 259 D CA 1.479 55.520 54.000 0.068 0.000 0.828 259 D CB -0.062 40.781 40.800 0.071 0.000 0.967 259 D HN 0.330 nan 8.370 nan 0.000 0.464 260 A N 0.582 123.498 122.820 0.160 0.000 1.877 260 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 260 A C 2.400 179.949 177.584 -0.058 0.000 1.186 260 A CA 2.377 54.493 52.037 0.132 0.000 0.620 260 A CB -1.186 17.834 19.000 0.034 0.000 0.822 260 A HN 0.325 nan 8.150 nan 0.000 0.443 261 A N -0.187 122.598 122.820 -0.059 0.000 1.902 261 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 261 A C 2.526 180.088 177.584 -0.037 0.000 1.181 261 A CA 2.243 54.233 52.037 -0.080 0.000 0.623 261 A CB -1.072 17.938 19.000 0.017 0.000 0.818 261 A HN 1.087 nan 8.150 nan 0.000 0.443 262 A N -0.164 122.654 122.820 -0.004 0.000 1.877 262 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 262 A C 2.238 179.812 177.584 -0.017 0.000 1.186 262 A CA 1.667 53.707 52.037 0.005 0.000 0.620 262 A CB -0.471 18.534 19.000 0.007 0.000 0.822 262 A HN 0.551 nan 8.150 nan 0.000 0.443 263 R N -0.616 119.862 120.500 -0.037 0.000 2.096 263 R HA -0.002 4.337 4.340 -0.000 0.000 0.235 263 R C 2.050 178.294 176.300 -0.093 0.000 1.127 263 R CA 1.325 57.391 56.100 -0.057 0.000 0.968 263 R CB -0.478 29.793 30.300 -0.049 0.000 0.861 263 R HN 0.505 nan 8.270 nan 0.000 0.440 264 L N 0.183 121.297 121.223 -0.181 0.000 2.046 264 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 264 L C 2.575 179.412 176.870 -0.055 0.000 1.077 264 L CA 1.423 56.063 54.840 -0.332 0.000 0.747 264 L CB -0.322 41.173 42.059 -0.939 0.000 0.896 264 L HN 0.153 nan 8.230 nan 0.000 0.432 265 R N -0.198 120.334 120.500 0.053 0.000 2.081 265 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 265 R C 2.398 178.752 176.300 0.090 0.000 1.131 265 R CA 1.387 57.582 56.100 0.159 0.000 0.960 265 R CB -0.554 29.824 30.300 0.129 0.000 0.856 265 R HN 0.363 nan 8.270 nan 0.000 0.436 266 A N 1.367 124.208 122.820 0.035 0.000 1.902 266 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 266 A C 2.060 179.653 177.584 0.016 0.000 1.181 266 A CA 1.148 53.194 52.037 0.016 0.000 0.623 266 A CB -0.292 18.702 19.000 -0.010 0.000 0.818 266 A HN 0.113 nan 8.150 nan 0.000 0.443 267 R N -0.224 120.281 120.500 0.008 0.000 2.105 267 R HA -0.118 4.222 4.340 -0.000 0.000 0.239 267 R C 1.917 178.248 176.300 0.051 0.000 1.135 267 R CA 1.757 57.862 56.100 0.009 0.000 0.967 267 R CB -1.351 28.941 30.300 -0.014 0.000 0.861 267 R HN 0.683 nan 8.270 nan 0.000 0.442 268 V N -0.957 119.020 119.914 0.104 0.000 3.633 268 V HA 0.112 4.232 4.120 -0.000 0.000 0.283 268 V C 0.234 176.374 176.094 0.077 0.000 1.305 268 V CA -0.531 61.838 62.300 0.115 0.000 1.153 268 V CB -0.665 31.273 31.823 0.193 0.000 0.950 268 V HN -0.037 nan 8.190 nan 0.000 0.432 269 D N 1.226 121.661 120.400 0.058 0.000 2.458 269 D HA 0.418 5.058 4.640 -0.000 0.000 0.243 269 D C 1.438 177.754 176.300 0.028 0.000 1.146 269 D CA 1.789 55.812 54.000 0.039 0.000 0.877 269 D CB 0.431 41.247 40.800 0.028 0.000 1.176 269 D HN 0.557 nan 8.370 nan 0.000 0.461 270 G N 2.367 111.179 108.800 0.021 0.000 2.175 270 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.244 270 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.244 270 G C 0.424 175.335 174.900 0.018 0.000 0.982 270 G CA 0.248 45.357 45.100 0.016 0.000 0.641 270 G HN 0.744 nan 8.290 nan 0.000 0.527 271 S N 0.084 115.799 115.700 0.024 0.000 2.565 271 S HA 0.685 5.155 4.470 -0.000 0.000 0.274 271 S C 1.212 175.822 174.600 0.017 0.000 1.309 271 S CA 0.789 59.005 58.200 0.025 0.000 1.043 271 S CB 1.338 64.561 63.200 0.038 0.000 0.939 271 S HN 1.565 nan 8.310 nan 0.000 0.504 272 A N 5.210 128.040 122.820 0.017 0.000 2.431 272 A HA 0.323 4.643 4.320 -0.000 0.000 0.239 272 A C 1.778 179.372 177.584 0.017 0.000 1.230 272 A CA -0.301 51.745 52.037 0.015 0.000 0.928 272 A CB 0.074 19.083 19.000 0.015 0.000 1.006 272 A HN 0.721 nan 8.150 nan 0.000 0.520 273 R N -0.082 120.428 120.500 0.017 0.000 2.254 273 R HA 0.091 4.431 4.340 -0.000 0.000 0.195 273 R C 0.798 177.102 176.300 0.007 0.000 0.957 273 R CA 0.939 57.048 56.100 0.015 0.000 1.024 273 R CB -0.461 29.851 30.300 0.018 0.000 0.952 273 R HN 0.493 nan 8.270 nan 0.000 0.484 274 V N -1.025 118.891 119.914 0.002 0.000 2.904 274 V HA 0.403 4.523 4.120 -0.000 0.000 0.305 274 V C 0.548 176.630 176.094 -0.019 0.000 1.067 274 V CA -0.934 61.351 62.300 -0.025 0.000 1.044 274 V CB 1.853 33.651 31.823 -0.041 0.000 1.050 274 V HN -0.264 nan 8.190 nan 0.000 0.475 275 V N 4.039 123.931 119.914 -0.036 0.000 2.383 275 V HA 0.450 4.570 4.120 -0.000 0.000 0.275 275 V C 1.017 177.097 176.094 -0.023 0.000 1.036 275 V CA -0.269 62.041 62.300 0.017 0.000 0.889 275 V CB 0.792 32.623 31.823 0.014 0.000 0.985 275 V HN 0.938 nan 8.190 nan 0.000 0.459 276 R N 1.487 121.969 120.500 -0.030 0.000 2.365 276 R HA 0.196 4.536 4.340 -0.000 0.000 0.223 276 R C -0.239 175.968 176.300 -0.155 0.000 0.899 276 R CA -0.224 55.802 56.100 -0.123 0.000 1.059 276 R CB 0.236 30.437 30.300 -0.165 0.000 1.086 276 R HN 0.746 nan 8.270 nan 0.000 0.522 277 H N 0.352 119.397 119.070 -0.041 0.000 2.848 277 H HA 0.073 4.629 4.556 -0.000 0.000 0.317 277 H C -0.159 175.148 175.328 -0.036 0.000 1.046 277 H CA -0.098 55.931 56.048 -0.032 0.000 1.470 277 H CB 0.795 30.540 29.762 -0.028 0.000 1.483 277 H HN -0.204 nan 8.280 nan 0.000 0.548 278 V N 6.220 126.170 119.914 0.060 0.000 2.439 278 V HA -0.068 4.052 4.120 -0.000 0.000 0.271 278 V C 1.935 178.053 176.094 0.041 0.000 1.040 278 V CA 0.134 62.450 62.300 0.028 0.000 1.002 278 V CB -0.315 31.514 31.823 0.011 0.000 1.000 278 V HN 0.842 nan 8.190 nan 0.000 0.477 279 I N 3.366 123.950 120.570 0.024 0.000 2.335 279 I HA -0.159 4.011 4.170 -0.000 0.000 0.251 279 I C 2.132 178.255 176.117 0.011 0.000 1.129 279 I CA 1.996 63.305 61.300 0.015 0.000 1.402 279 I CB -0.322 37.679 38.000 0.002 0.000 1.069 279 I HN 0.566 nan 8.210 nan 0.000 0.424 280 A N 1.021 123.846 122.820 0.010 0.000 2.125 280 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 280 A C 2.161 179.751 177.584 0.010 0.000 1.156 280 A CA 1.242 53.283 52.037 0.007 0.000 0.671 280 A CB -0.522 18.481 19.000 0.006 0.000 0.794 280 A HN 0.539 nan 8.150 nan 0.000 0.459 281 E N 0.041 120.251 120.200 0.017 0.000 2.150 281 E HA -0.125 4.224 4.350 -0.000 0.000 0.193 281 E C 1.184 177.793 176.600 0.015 0.000 0.985 281 E CA 0.258 56.670 56.400 0.019 0.000 0.814 281 E CB -0.254 29.465 29.700 0.032 0.000 0.752 281 E HN 0.640 nan 8.360 nan 0.000 0.466 282 R N 1.888 122.395 120.500 0.012 0.000 2.449 282 R HA 0.046 4.385 4.340 -0.000 0.000 0.296 282 R C -0.349 175.951 176.300 -0.000 0.000 1.047 282 R CA 0.027 56.128 56.100 0.002 0.000 1.018 282 R CB 0.386 30.682 30.300 -0.007 0.000 0.962 282 R HN -0.119 nan 8.270 nan 0.000 0.428 283 R N 5.519 126.019 120.500 -0.001 0.000 2.229 283 R HA 0.262 4.602 4.340 -0.000 0.000 0.328 283 R C -0.369 175.929 176.300 -0.005 0.000 1.009 283 R CA -0.560 55.539 56.100 -0.002 0.000 0.864 283 R CB 1.022 31.321 30.300 -0.001 0.000 1.085 283 R HN 0.483 nan 8.270 nan 0.000 0.453 284 L N 3.206 124.426 121.223 -0.005 0.000 2.399 284 L HA 0.298 4.638 4.340 -0.000 0.000 0.266 284 L C 0.650 177.517 176.870 -0.005 0.000 1.114 284 L CA -0.342 54.494 54.840 -0.006 0.000 0.804 284 L CB 0.685 42.740 42.059 -0.006 0.000 1.146 284 L HN 0.703 nan 8.230 nan 0.000 0.451 285 D N 1.297 121.693 120.400 -0.006 0.000 2.585 285 D HA 0.341 4.981 4.640 -0.000 0.000 0.254 285 D C 0.554 176.851 176.300 -0.006 0.000 1.067 285 D CA -0.349 53.648 54.000 -0.005 0.000 1.090 285 D CB 1.681 42.478 40.800 -0.006 0.000 1.408 285 D HN 0.445 nan 8.370 nan 0.000 0.554 286 A N 0.226 123.043 122.820 -0.005 0.000 1.892 286 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 286 A C 2.053 179.633 177.584 -0.006 0.000 1.188 286 A CA 2.451 54.485 52.037 -0.005 0.000 0.631 286 A CB -1.638 17.359 19.000 -0.004 0.000 0.822 286 A HN 0.721 nan 8.150 nan 0.000 0.447 287 G N -1.157 107.639 108.800 -0.006 0.000 2.653 287 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.212 287 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.212 287 G C 0.749 175.643 174.900 -0.009 0.000 1.138 287 G CA 0.985 46.080 45.100 -0.007 0.000 0.782 287 G HN 0.530 nan 8.290 nan 0.000 0.535 288 D N 0.077 120.471 120.400 -0.009 0.000 2.355 288 D HA 0.042 4.682 4.640 -0.000 0.000 0.206 288 D C 1.060 177.355 176.300 -0.009 0.000 1.010 288 D CA -0.179 53.815 54.000 -0.010 0.000 0.875 288 D CB 0.565 41.359 40.800 -0.011 0.000 0.966 288 D HN 0.126 nan 8.370 nan 0.000 0.512 289 I N 1.555 122.121 120.570 -0.007 0.000 2.668 289 I HA 0.273 4.443 4.170 -0.000 0.000 0.285 289 I C 1.435 177.547 176.117 -0.007 0.000 1.168 289 I CA 0.928 62.224 61.300 -0.007 0.000 1.424 289 I CB 0.004 38.001 38.000 -0.005 0.000 1.377 289 I HN 0.059 nan 8.210 nan 0.000 0.560 290 G N 5.733 114.529 108.800 -0.007 0.000 2.373 290 G HA2 0.079 4.039 3.960 -0.000 0.000 0.250 290 G HA3 0.079 4.039 3.960 -0.000 0.000 0.250 290 G C -1.081 173.814 174.900 -0.008 0.000 1.304 290 G CA -0.677 44.419 45.100 -0.007 0.000 0.948 290 G HN 0.431 nan 8.290 nan 0.000 0.474 291 T N 1.863 116.412 114.554 -0.009 0.000 2.770 291 T HA 0.586 4.936 4.350 -0.000 0.000 0.283 291 T C -0.202 174.491 174.700 -0.011 0.000 0.988 291 T CA -0.260 61.834 62.100 -0.009 0.000 0.957 291 T CB 1.475 70.338 68.868 -0.009 0.000 0.930 291 T HN 0.465 nan 8.240 nan 0.000 0.443 292 E N 3.072 123.265 120.200 -0.012 0.000 2.318 292 E HA 0.203 4.553 4.350 -0.000 0.000 0.265 292 E C -1.282 175.309 176.600 -0.015 0.000 1.069 292 E CA -1.990 54.401 56.400 -0.015 0.000 0.893 292 E CB 0.774 30.464 29.700 -0.017 0.000 1.076 292 E HN 0.332 nan 8.360 nan 0.000 0.414 293 P HA -0.128 nan 4.420 nan 0.000 0.215 293 P C -0.640 176.649 177.300 -0.017 0.000 1.153 293 P CA 1.350 64.440 63.100 -0.016 0.000 0.853 293 P CB 0.323 32.013 31.700 -0.018 0.000 0.788 294 E N -1.539 118.650 120.200 -0.018 0.000 2.393 294 E HA 0.605 4.955 4.350 -0.000 0.000 0.273 294 E C -0.943 175.647 176.600 -0.017 0.000 0.918 294 E CA -1.166 55.223 56.400 -0.018 0.000 0.773 294 E CB 2.020 31.708 29.700 -0.020 0.000 1.275 294 E HN -0.109 nan 8.360 nan 0.000 0.451 295 A N 0.571 123.383 122.820 -0.014 0.000 2.346 295 A HA 0.434 4.754 4.320 -0.000 0.000 0.252 295 A C 1.176 178.753 177.584 -0.011 0.000 1.089 295 A CA 0.353 52.385 52.037 -0.010 0.000 0.797 295 A CB 0.038 19.035 19.000 -0.005 0.000 1.047 295 A HN 0.785 nan 8.150 nan 0.000 0.494 296 G N -0.915 107.880 108.800 -0.008 0.000 2.848 296 G HA2 0.279 4.239 3.960 -0.000 0.000 0.208 296 G HA3 0.279 4.239 3.960 -0.000 0.000 0.208 296 G C 0.461 175.354 174.900 -0.011 0.000 1.152 296 G CA 0.379 45.473 45.100 -0.011 0.000 0.789 296 G HN 0.709 nan 8.290 nan 0.000 0.531 297 Q N 0.068 119.867 119.800 -0.002 0.000 2.423 297 Q HA 0.319 4.659 4.340 -0.000 0.000 0.278 297 Q C -1.467 174.540 176.000 0.012 0.000 1.097 297 Q CA -1.033 54.772 55.803 0.003 0.000 0.809 297 Q CB 2.054 30.810 28.738 0.030 0.000 1.391 297 Q HN 0.020 nan 8.270 nan 0.000 0.428 298 D N 0.621 121.026 120.400 0.008 0.000 2.383 298 D HA 0.382 5.022 4.640 -0.000 0.000 0.248 298 D C -0.151 176.200 176.300 0.086 0.000 1.170 298 D CA -0.098 53.916 54.000 0.023 0.000 0.977 298 D CB 0.883 41.682 40.800 -0.002 0.000 1.120 298 D HN 0.623 nan 8.370 nan 0.000 0.481 299 A N 0.385 123.250 122.820 0.074 0.000 2.366 299 A HA 0.007 4.327 4.320 -0.000 0.000 0.250 299 A C 0.623 178.354 177.584 0.245 0.000 1.099 299 A CA -0.040 52.050 52.037 0.089 0.000 0.794 299 A CB -0.102 18.909 19.000 0.019 0.000 1.056 299 A HN 0.549 nan 8.150 nan 0.000 0.499 300 Y N 0.647 120.963 120.300 0.027 0.000 2.333 300 Y HA -0.168 4.382 4.550 -0.000 0.000 0.290 300 Y C 2.890 178.824 175.900 0.057 0.000 1.144 300 Y CA 1.460 59.583 58.100 0.038 0.000 1.228 300 Y CB -1.250 37.224 38.460 0.024 0.000 0.985 300 Y HN 0.713 nan 8.280 nan 0.000 0.542 301 S N -1.090 114.736 115.700 0.210 0.000 2.500 301 S HA -0.086 4.384 4.470 -0.000 0.000 0.239 301 S C 1.756 176.462 174.600 0.177 0.000 0.989 301 S CA 1.002 59.294 58.200 0.153 0.000 0.951 301 S CB -0.485 62.779 63.200 0.108 0.000 0.759 301 S HN 0.453 nan 8.310 nan 0.000 0.523 302 L N -0.358 120.988 121.223 0.205 0.000 2.588 302 L HA 0.360 4.700 4.340 -0.000 0.000 0.194 302 L C 2.711 179.791 176.870 0.350 0.000 1.070 302 L CA 0.183 55.192 54.840 0.282 0.000 0.852 302 L CB -0.182 41.979 42.059 0.170 0.000 1.199 302 L HN 0.168 nan 8.230 nan 0.000 0.486 303 R N -0.081 120.543 120.500 0.206 0.000 2.120 303 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 303 R C 1.554 177.953 176.300 0.165 0.000 1.123 303 R CA 1.757 57.950 56.100 0.155 0.000 0.975 303 R CB -0.165 30.192 30.300 0.095 0.000 0.866 303 R HN 0.390 nan 8.270 nan 0.000 0.446 304 C N 0.253 119.614 119.300 0.102 0.000 2.780 304 C HA 0.437 4.896 4.460 -0.000 0.000 0.287 304 C C 2.170 177.179 174.990 0.031 0.000 1.288 304 C CA -0.370 58.647 59.018 -0.001 0.000 1.713 304 C CB -0.338 27.302 27.740 -0.166 0.000 1.955 304 C HN 0.625 nan 8.230 nan 0.000 0.613 305 A N 2.725 125.613 122.820 0.113 0.000 1.917 305 A HA -0.138 4.181 4.320 -0.000 0.000 0.219 305 A C 0.013 177.523 177.584 -0.124 0.000 1.182 305 A CA 1.938 53.975 52.037 0.000 0.000 0.633 305 A CB -1.599 17.406 19.000 0.009 0.000 0.819 305 A HN 0.424 nan 8.150 nan 0.000 0.448 306 P HA -0.144 nan 4.420 nan 0.000 0.215 306 P C 1.293 178.524 177.300 -0.115 0.000 1.153 306 P CA 1.492 64.509 63.100 -0.139 0.000 0.853 306 P CB -0.042 31.624 31.700 -0.057 0.000 0.788 307 Q N -0.940 118.812 119.800 -0.081 0.000 2.083 307 Q HA -0.077 4.263 4.340 -0.000 0.000 0.198 307 Q C 2.143 178.057 176.000 -0.143 0.000 0.969 307 Q CA 1.247 56.996 55.803 -0.091 0.000 0.838 307 Q CB -1.404 27.288 28.738 -0.076 0.000 0.900 307 Q HN 0.083 nan 8.270 nan 0.000 0.436 308 V N 0.403 120.231 119.914 -0.144 0.000 2.270 308 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 308 V C 2.107 178.040 176.094 -0.267 0.000 1.043 308 V CA 1.497 63.698 62.300 -0.165 0.000 1.014 308 V CB -0.617 31.139 31.823 -0.112 0.000 0.645 308 V HN 0.301 nan 8.190 nan 0.000 0.447 309 L N 0.595 121.611 121.223 -0.345 0.000 2.046 309 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 309 L C 2.673 178.978 176.870 -0.942 0.000 1.077 309 L CA 1.766 56.198 54.840 -0.680 0.000 0.747 309 L CB -1.217 40.448 42.059 -0.658 0.000 0.896 309 L HN 0.483 nan 8.230 nan 0.000 0.432 310 G N -0.373 108.124 108.800 -0.504 0.000 2.442 310 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.219 310 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.219 310 G C 1.765 176.559 174.900 -0.175 0.000 1.141 310 G CA 0.839 45.787 45.100 -0.254 0.000 0.763 310 G HN 0.475 nan 8.290 nan 0.000 0.554 311 A N 0.782 123.470 122.820 -0.219 0.000 1.930 311 A HA 0.207 4.527 4.320 -0.000 0.000 0.217 311 A C 2.690 180.203 177.584 -0.119 0.000 1.175 311 A CA 1.970 53.900 52.037 -0.178 0.000 0.627 311 A CB -0.932 17.956 19.000 -0.188 0.000 0.815 311 A HN 0.493 nan 8.150 nan 0.000 0.443 312 G N -1.138 107.553 108.800 -0.181 0.000 2.408 312 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.217 312 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.217 312 G C 1.281 176.255 174.900 0.123 0.000 1.150 312 G CA 1.000 46.042 45.100 -0.095 0.000 0.776 312 G HN 0.372 nan 8.290 nan 0.000 0.542 313 F N 1.674 121.627 119.950 0.005 0.000 2.186 313 F HA 0.045 4.571 4.527 -0.000 0.000 0.299 313 F C 2.289 178.113 175.800 0.039 0.000 1.090 313 F CA 0.397 58.412 58.000 0.026 0.000 1.307 313 F CB -0.629 38.380 39.000 0.014 0.000 1.019 313 F HN 0.109 nan 8.300 nan 0.000 0.489 314 D N -0.600 119.927 120.400 0.211 0.000 2.178 314 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 314 D C 2.209 178.614 176.300 0.175 0.000 0.974 314 D CA 1.355 55.444 54.000 0.150 0.000 0.841 314 D CB -0.346 40.491 40.800 0.062 0.000 0.953 314 D HN 0.196 nan 8.370 nan 0.000 0.478 315 T N 1.122 115.771 114.554 0.159 0.000 2.777 315 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 315 T C 1.902 176.768 174.700 0.277 0.000 1.040 315 T CA 0.377 62.610 62.100 0.222 0.000 1.141 315 T CB -0.217 68.735 68.868 0.140 0.000 0.868 315 T HN 0.044 nan 8.240 nan 0.000 0.444 316 L N 1.565 122.912 121.223 0.207 0.000 2.083 316 L HA 0.101 4.441 4.340 -0.000 0.000 0.209 316 L C 2.552 179.544 176.870 0.204 0.000 1.083 316 L CA 1.687 56.630 54.840 0.171 0.000 0.752 316 L CB -0.988 41.156 42.059 0.141 0.000 0.899 316 L HN 0.218 nan 8.230 nan 0.000 0.433 317 A N -1.258 121.682 122.820 0.200 0.000 1.933 317 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 317 A C 2.111 179.835 177.584 0.234 0.000 1.175 317 A CA 1.673 53.817 52.037 0.177 0.000 0.628 317 A CB -1.367 17.727 19.000 0.157 0.000 0.814 317 A HN 0.740 nan 8.150 nan 0.000 0.444 318 W N 0.308 121.666 121.300 0.097 0.000 2.379 318 W HA -0.165 4.495 4.660 -0.000 0.000 0.307 318 W C 2.248 178.832 176.519 0.108 0.000 1.200 318 W CA 1.851 59.248 57.345 0.087 0.000 1.297 318 W CB -0.783 28.722 29.460 0.076 0.000 1.140 318 W HN 0.620 nan 8.180 nan 0.000 0.507 319 H N 0.193 119.218 119.070 -0.076 0.000 2.319 319 H HA -0.179 4.377 4.556 -0.000 0.000 0.297 319 H C 1.355 176.576 175.328 -0.177 0.000 1.097 319 H CA 2.454 58.353 56.048 -0.249 0.000 1.285 319 H CB -0.521 29.201 29.762 -0.067 0.000 1.368 319 H HN 0.060 nan 8.280 nan 0.000 0.495 320 D N 0.170 120.612 120.400 0.069 0.000 2.178 320 D HA -0.072 4.568 4.640 -0.000 0.000 0.202 320 D C 2.596 178.864 176.300 -0.053 0.000 0.974 320 D CA 0.572 54.584 54.000 0.021 0.000 0.841 320 D CB -0.214 40.644 40.800 0.097 0.000 0.953 320 D HN 0.390 nan 8.370 nan 0.000 0.478 321 R N 0.265 120.742 120.500 -0.038 0.000 2.066 321 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 321 R C 2.318 178.561 176.300 -0.096 0.000 1.131 321 R CA 0.767 56.854 56.100 -0.022 0.000 0.955 321 R CB -0.484 29.849 30.300 0.055 0.000 0.851 321 R HN 0.096 nan 8.270 nan 0.000 0.432 322 V N 1.430 121.210 119.914 -0.224 0.000 2.427 322 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 322 V C 2.204 178.151 176.094 -0.245 0.000 1.051 322 V CA 1.341 63.486 62.300 -0.258 0.000 1.048 322 V CB -0.407 31.147 31.823 -0.449 0.000 0.666 322 V HN 0.228 nan 8.190 nan 0.000 0.456 323 L N 0.009 121.047 121.223 -0.308 0.000 2.093 323 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 323 L C 2.449 179.235 176.870 -0.141 0.000 1.085 323 L CA 2.309 56.993 54.840 -0.260 0.000 0.755 323 L CB -0.961 40.894 42.059 -0.340 0.000 0.904 323 L HN 0.333 nan 8.230 nan 0.000 0.435 324 T N -0.115 114.383 114.554 -0.094 0.000 2.720 324 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 324 T C 1.962 176.655 174.700 -0.012 0.000 1.037 324 T CA 2.028 64.111 62.100 -0.027 0.000 1.144 324 T CB -0.305 68.589 68.868 0.043 0.000 0.864 324 T HN 0.320 nan 8.240 nan 0.000 0.444 325 I N 0.622 121.167 120.570 -0.042 0.000 2.202 325 I HA -0.134 4.036 4.170 -0.000 0.000 0.242 325 I C 2.729 178.796 176.117 -0.082 0.000 1.091 325 I CA 1.253 62.523 61.300 -0.050 0.000 1.368 325 I CB -0.300 37.645 38.000 -0.092 0.000 1.058 325 I HN 0.197 nan 8.210 nan 0.000 0.410 326 E N 1.318 121.447 120.200 -0.118 0.000 2.051 326 E HA -0.258 4.091 4.350 -0.000 0.000 0.192 326 E C 2.040 178.592 176.600 -0.080 0.000 0.991 326 E CA 1.295 57.627 56.400 -0.114 0.000 0.799 326 E CB -0.294 29.333 29.700 -0.122 0.000 0.748 326 E HN 0.299 nan 8.360 nan 0.000 0.449 327 L N 1.006 122.182 121.223 -0.079 0.000 2.079 327 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 327 L C 1.151 177.981 176.870 -0.067 0.000 1.081 327 L CA 1.864 56.661 54.840 -0.072 0.000 0.752 327 L CB -0.427 41.581 42.059 -0.085 0.000 0.896 327 L HN 0.158 nan 8.230 nan 0.000 0.433 328 N N -0.137 118.529 118.700 -0.056 0.000 2.268 328 N HA 0.214 4.954 4.740 -0.000 0.000 0.204 328 N C 0.272 175.775 175.510 -0.012 0.000 1.124 328 N CA 0.619 53.652 53.050 -0.028 0.000 0.838 328 N CB 0.254 38.761 38.487 0.034 0.000 0.994 328 N HN 0.416 nan 8.380 nan 0.000 0.489 329 A N 0.275 123.075 122.820 -0.034 0.000 2.256 329 A HA 0.553 4.873 4.320 -0.000 0.000 0.318 329 A C 0.083 177.646 177.584 -0.035 0.000 1.103 329 A CA -0.404 51.609 52.037 -0.040 0.000 0.860 329 A CB 1.033 19.991 19.000 -0.070 0.000 1.182 329 A HN -0.031 nan 8.150 nan 0.000 0.501 330 V N 1.776 121.668 119.914 -0.036 0.000 2.334 330 V HA 0.381 4.501 4.120 -0.000 0.000 0.267 330 V C 0.291 176.363 176.094 -0.037 0.000 1.040 330 V CA 0.155 62.438 62.300 -0.028 0.000 0.866 330 V CB 0.603 32.410 31.823 -0.026 0.000 1.019 330 V HN 0.940 nan 8.190 nan 0.000 0.468 331 T N 0.648 115.190 114.554 -0.020 0.000 2.947 331 T HA 0.682 5.032 4.350 -0.000 0.000 0.337 331 T C -0.772 173.949 174.700 0.035 0.000 1.139 331 T CA -0.596 61.500 62.100 -0.006 0.000 0.992 331 T CB 1.102 69.973 68.868 0.005 0.000 1.043 331 T HN 0.596 nan 8.240 nan 0.000 0.498 332 D N 1.831 122.253 120.400 0.036 0.000 2.694 332 D HA 0.484 5.124 4.640 -0.000 0.000 0.260 332 D C -1.735 174.604 176.300 0.064 0.000 1.250 332 D CA -0.418 53.624 54.000 0.069 0.000 0.763 332 D CB 2.196 43.010 40.800 0.023 0.000 1.311 332 D HN 0.549 nan 8.370 nan 0.000 0.420 333 N N 0.765 119.527 118.700 0.103 0.000 2.554 333 N HA 0.435 5.175 4.740 -0.000 0.000 0.271 333 N C -2.952 172.593 175.510 0.059 0.000 1.081 333 N CA -0.947 52.136 53.050 0.053 0.000 0.994 333 N CB 2.830 41.482 38.487 0.275 0.000 1.641 333 N HN 0.046 nan 8.380 nan 0.000 0.511 334 P HA 0.329 nan 4.420 nan 0.000 0.289 334 P C -0.881 176.077 177.300 -0.570 0.000 1.299 334 P CA -0.437 62.395 63.100 -0.447 0.000 0.766 334 P CB 0.887 32.116 31.700 -0.784 0.000 1.226 335 V N -3.838 115.678 119.914 -0.663 0.000 2.914 335 V HA 0.633 4.752 4.120 -0.000 0.000 0.314 335 V C -1.031 174.611 176.094 -0.753 0.000 1.084 335 V CA -0.926 61.004 62.300 -0.617 0.000 0.963 335 V CB 1.574 33.235 31.823 -0.270 0.000 1.025 335 V HN 0.196 nan 8.190 nan 0.000 0.432 336 F N 2.184 122.118 119.950 -0.026 0.000 2.325 336 F HA 0.622 5.149 4.527 -0.000 0.000 0.369 336 F C -2.415 173.379 175.800 -0.010 0.000 1.095 336 F CA -2.666 55.325 58.000 -0.016 0.000 1.082 336 F CB 1.304 40.302 39.000 -0.003 0.000 1.289 336 F HN 0.294 nan 8.300 nan 0.000 0.462 337 P HA 0.033 nan 4.420 nan 0.000 0.260 337 P C -1.995 175.351 177.300 0.076 0.000 1.185 337 P CA -0.681 62.456 63.100 0.062 0.000 0.763 337 P CB 0.501 32.225 31.700 0.039 0.000 0.776 338 P HA -0.183 nan 4.420 nan 0.000 0.218 338 P C 0.927 178.249 177.300 0.036 0.000 1.148 338 P CA 1.342 64.471 63.100 0.049 0.000 0.822 338 P CB -0.085 31.637 31.700 0.036 0.000 0.784 339 D N -1.487 118.931 120.400 0.031 0.000 2.312 339 D HA -0.011 4.629 4.640 -0.000 0.000 0.211 339 D C 1.501 177.817 176.300 0.027 0.000 0.964 339 D CA 1.101 55.115 54.000 0.024 0.000 0.877 339 D CB -1.193 39.618 40.800 0.018 0.000 0.924 339 D HN 0.207 nan 8.370 nan 0.000 0.515 340 G N 0.098 108.920 108.800 0.037 0.000 2.148 340 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.254 340 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.254 340 G C 1.230 176.151 174.900 0.035 0.000 0.981 340 G CA 1.250 46.373 45.100 0.039 0.000 0.670 340 G HN 0.658 nan 8.290 nan 0.000 0.528 341 S N -1.193 114.526 115.700 0.031 0.000 2.359 341 S HA 0.120 4.590 4.470 -0.000 0.000 0.223 341 S C 1.287 175.906 174.600 0.032 0.000 1.039 341 S CA 2.100 60.316 58.200 0.026 0.000 1.042 341 S CB -0.616 62.595 63.200 0.020 0.000 0.915 341 S HN 2.030 nan 8.310 nan 0.000 0.439 342 V N -3.056 116.882 119.914 0.041 0.000 3.001 342 V HA 0.575 4.695 4.120 -0.000 0.000 0.314 342 V C -2.395 173.745 176.094 0.077 0.000 1.099 342 V CA -2.226 60.105 62.300 0.051 0.000 0.989 342 V CB 1.243 33.093 31.823 0.044 0.000 1.040 342 V HN -0.082 nan 8.190 nan 0.000 0.434 343 P HA 0.195 nan 4.420 nan 0.000 0.216 343 P C 0.285 177.720 177.300 0.225 0.000 1.153 343 P CA 2.130 65.311 63.100 0.135 0.000 0.848 343 P CB 0.180 31.954 31.700 0.123 0.000 0.787 344 A N -1.999 120.913 122.820 0.152 0.000 2.601 344 A HA 0.649 4.969 4.320 -0.000 0.000 0.291 344 A C -1.943 175.611 177.584 -0.050 0.000 1.075 344 A CA -0.557 51.504 52.037 0.040 0.000 0.671 344 A CB 0.479 19.501 19.000 0.037 0.000 1.277 344 A HN -0.057 nan 8.150 nan 0.000 0.417 345 L N 1.200 122.298 121.223 -0.209 0.000 2.362 345 L HA 0.557 4.897 4.340 -0.000 0.000 0.275 345 L C -1.116 175.577 176.870 -0.294 0.000 0.998 345 L CA -0.671 54.083 54.840 -0.143 0.000 0.820 345 L CB 2.139 44.131 42.059 -0.112 0.000 1.270 345 L HN 0.818 nan 8.230 nan 0.000 0.415 346 H N 1.395 120.409 119.070 -0.094 0.000 2.504 346 H HA 0.742 5.298 4.556 -0.000 0.000 0.322 346 H C 0.246 175.521 175.328 -0.089 0.000 1.055 346 H CA -0.093 55.900 56.048 -0.092 0.000 1.231 346 H CB 1.852 31.559 29.762 -0.092 0.000 1.417 346 H HN 0.761 nan 8.280 nan 0.000 0.472 347 G N 0.693 109.476 108.800 -0.028 0.000 2.871 347 G HA2 0.448 4.408 3.960 -0.000 0.000 0.282 347 G HA3 0.448 4.408 3.960 -0.000 0.000 0.282 347 G C -0.203 174.580 174.900 -0.195 0.000 1.212 347 G CA -0.368 44.680 45.100 -0.088 0.000 0.812 347 G HN 0.641 nan 8.290 nan 0.000 0.547 348 G N -0.035 108.535 108.800 -0.384 0.000 4.637 348 G HA2 0.282 4.242 3.960 -0.000 0.000 0.294 348 G HA3 0.282 4.242 3.960 -0.000 0.000 0.294 348 G C 0.263 174.579 174.900 -0.972 0.000 1.215 348 G CA -0.181 44.362 45.100 -0.929 0.000 0.943 348 G HN 0.270 nan 8.290 nan 0.000 0.572 349 N N 0.878 119.204 118.700 -0.624 0.000 2.609 349 N HA -0.032 4.708 4.740 -0.000 0.000 0.190 349 N C 1.388 176.726 175.510 -0.287 0.000 1.157 349 N CA 0.283 53.116 53.050 -0.362 0.000 0.918 349 N CB -0.130 38.241 38.487 -0.194 0.000 0.978 349 N HN 0.631 nan 8.380 nan 0.000 0.448 350 F N -1.345 118.590 119.950 -0.026 0.000 2.776 350 F HA 0.357 4.884 4.527 -0.000 0.000 0.300 350 F C 0.793 176.591 175.800 -0.003 0.000 1.116 350 F CA -0.857 57.134 58.000 -0.016 0.000 1.375 350 F CB -0.671 38.320 39.000 -0.014 0.000 1.109 350 F HN -0.170 nan 8.300 nan 0.000 0.585 351 M N 2.757 122.269 119.600 -0.146 0.000 2.350 351 M HA 0.370 4.850 4.480 -0.000 0.000 0.338 351 M C 0.909 177.242 176.300 0.054 0.000 1.559 351 M CA -0.466 54.861 55.300 0.044 0.000 1.217 351 M CB 0.157 32.708 32.600 -0.082 0.000 1.808 351 M HN 0.238 nan 8.290 nan 0.000 0.458 352 G N 3.515 112.373 108.800 0.096 0.000 3.471 352 G HA2 0.053 4.013 3.960 -0.000 0.000 0.254 352 G HA3 0.053 4.013 3.960 -0.000 0.000 0.254 352 G C 0.638 175.575 174.900 0.063 0.000 1.199 352 G CA -0.215 44.928 45.100 0.072 0.000 1.683 352 G HN 0.814 nan 8.290 nan 0.000 0.625 353 Q N -0.040 119.796 119.800 0.061 0.000 2.167 353 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 353 Q C 1.931 177.912 176.000 -0.032 0.000 0.970 353 Q CA 1.399 57.208 55.803 0.009 0.000 0.855 353 Q CB -0.095 28.627 28.738 -0.026 0.000 0.911 353 Q HN 0.720 nan 8.270 nan 0.000 0.438 354 H N -1.655 117.392 119.070 -0.039 0.000 2.321 354 H HA -0.073 4.483 4.556 -0.000 0.000 0.300 354 H C 1.821 177.069 175.328 -0.133 0.000 1.087 354 H CA 1.798 57.797 56.048 -0.081 0.000 1.319 354 H CB -0.071 29.631 29.762 -0.101 0.000 1.379 354 H HN 0.065 nan 8.280 nan 0.000 0.501 355 V N 0.498 120.421 119.914 0.015 0.000 2.515 355 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 355 V C 2.486 178.570 176.094 -0.017 0.000 1.058 355 V CA 1.455 63.725 62.300 -0.050 0.000 1.064 355 V CB -0.904 30.902 31.823 -0.028 0.000 0.675 355 V HN 0.577 nan 8.190 nan 0.000 0.461 356 A N -0.149 122.676 122.820 0.007 0.000 1.877 356 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 356 A C 2.202 179.802 177.584 0.026 0.000 1.186 356 A CA 1.762 53.814 52.037 0.024 0.000 0.620 356 A CB -0.490 18.527 19.000 0.028 0.000 0.822 356 A HN 0.489 nan 8.150 nan 0.000 0.443 357 L N -0.151 121.077 121.223 0.009 0.000 2.056 357 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 357 L C 3.002 179.919 176.870 0.077 0.000 1.078 357 L CA 1.790 56.665 54.840 0.058 0.000 0.749 357 L CB -0.893 41.215 42.059 0.081 0.000 0.901 357 L HN 0.660 nan 8.230 nan 0.000 0.433 358 T N -4.536 109.961 114.554 -0.094 0.000 2.867 358 T HA -0.103 4.246 4.350 -0.000 0.000 0.268 358 T C 2.017 176.796 174.700 0.132 0.000 1.057 358 T CA 1.293 63.291 62.100 -0.171 0.000 1.136 358 T CB -0.255 68.309 68.868 -0.505 0.000 0.874 358 T HN 0.121 nan 8.240 nan 0.000 0.466 359 S N 1.608 117.381 115.700 0.122 0.000 2.368 359 S HA -0.087 4.383 4.470 -0.000 0.000 0.224 359 S C 1.831 176.490 174.600 0.099 0.000 1.029 359 S CA 1.176 59.464 58.200 0.147 0.000 0.988 359 S CB -0.503 62.763 63.200 0.111 0.000 0.838 359 S HN 0.519 nan 8.310 nan 0.000 0.462 360 D N 1.537 121.992 120.400 0.092 0.000 2.144 360 D HA 0.052 4.692 4.640 -0.000 0.000 0.200 360 D C 2.070 178.425 176.300 0.091 0.000 0.978 360 D CA 1.062 55.110 54.000 0.079 0.000 0.833 360 D CB -0.348 40.494 40.800 0.070 0.000 0.961 360 D HN 0.374 nan 8.370 nan 0.000 0.470 361 A N 0.610 123.520 122.820 0.150 0.000 1.898 361 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 361 A C 2.123 179.780 177.584 0.122 0.000 1.181 361 A CA 0.794 52.940 52.037 0.182 0.000 0.620 361 A CB -0.602 18.637 19.000 0.398 0.000 0.819 361 A HN 0.236 nan 8.150 nan 0.000 0.442 362 L N -0.201 121.085 121.223 0.105 0.000 2.093 362 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 362 L C 2.627 179.482 176.870 -0.024 0.000 1.085 362 L CA 2.023 56.870 54.840 0.011 0.000 0.755 362 L CB -0.747 41.238 42.059 -0.123 0.000 0.904 362 L HN 0.332 nan 8.230 nan 0.000 0.435 363 A N -1.493 121.327 122.820 -0.001 0.000 1.908 363 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 363 A C 2.261 179.820 177.584 -0.042 0.000 1.181 363 A CA 2.353 54.382 52.037 -0.013 0.000 0.627 363 A CB -1.201 17.809 19.000 0.017 0.000 0.818 363 A HN 0.512 nan 8.150 nan 0.000 0.445 364 T N 0.225 114.764 114.554 -0.025 0.000 2.737 364 T HA 0.004 4.354 4.350 -0.000 0.000 0.265 364 T C 2.250 176.893 174.700 -0.094 0.000 1.038 364 T CA 1.560 63.633 62.100 -0.045 0.000 1.144 364 T CB -0.476 68.380 68.868 -0.019 0.000 0.866 364 T HN 0.606 nan 8.240 nan 0.000 0.434 365 A N 0.998 123.763 122.820 -0.092 0.000 1.908 365 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 365 A C 2.580 179.990 177.584 -0.290 0.000 1.181 365 A CA 1.370 53.319 52.037 -0.148 0.000 0.627 365 A CB -1.055 17.893 19.000 -0.088 0.000 0.818 365 A HN 0.355 nan 8.150 nan 0.000 0.445 366 V N -0.317 119.415 119.914 -0.303 0.000 2.343 366 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 366 V C 2.731 178.503 176.094 -0.537 0.000 1.051 366 V CA 2.461 64.438 62.300 -0.538 0.000 1.036 366 V CB -1.164 30.509 31.823 -0.250 0.000 0.654 366 V HN 0.618 nan 8.190 nan 0.000 0.451 367 T N -0.277 114.108 114.554 -0.281 0.000 2.821 367 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 367 T C 1.938 176.504 174.700 -0.223 0.000 1.046 367 T CA 1.450 63.427 62.100 -0.205 0.000 1.139 367 T CB -0.130 68.674 68.868 -0.107 0.000 0.871 367 T HN 0.277 nan 8.240 nan 0.000 0.454 368 V N 1.217 120.995 119.914 -0.227 0.000 2.295 368 V HA -0.098 4.022 4.120 -0.000 0.000 0.246 368 V C 2.379 178.330 176.094 -0.239 0.000 1.049 368 V CA 1.349 63.535 62.300 -0.190 0.000 1.024 368 V CB -0.540 31.184 31.823 -0.164 0.000 0.648 368 V HN 0.324 nan 8.190 nan 0.000 0.447 369 L N 0.306 121.290 121.223 -0.398 0.000 2.141 369 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 369 L C 2.527 179.185 176.870 -0.353 0.000 1.094 369 L CA 2.025 56.620 54.840 -0.408 0.000 0.763 369 L CB -1.128 40.561 42.059 -0.616 0.000 0.908 369 L HN 0.285 nan 8.230 nan 0.000 0.437 370 A N -0.577 121.908 122.820 -0.558 0.000 1.969 370 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 370 A C 2.421 179.987 177.584 -0.031 0.000 1.169 370 A CA 1.402 53.322 52.037 -0.196 0.000 0.635 370 A CB -1.162 17.742 19.000 -0.160 0.000 0.810 370 A HN 0.417 nan 8.150 nan 0.000 0.445 371 G N -0.030 108.720 108.800 -0.085 0.000 2.408 371 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.217 371 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.217 371 G C 1.474 176.376 174.900 0.003 0.000 1.150 371 G CA 1.168 46.250 45.100 -0.030 0.000 0.776 371 G HN 0.515 nan 8.290 nan 0.000 0.542 372 L N 1.409 122.628 121.223 -0.005 0.000 2.017 372 L HA 0.167 4.507 4.340 -0.000 0.000 0.208 372 L C 3.004 179.918 176.870 0.073 0.000 1.073 372 L CA 2.302 57.161 54.840 0.032 0.000 0.745 372 L CB -0.779 41.291 42.059 0.018 0.000 0.894 372 L HN 0.209 nan 8.230 nan 0.000 0.432 373 A N -0.847 122.041 122.820 0.114 0.000 1.933 373 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 373 A C 2.326 179.970 177.584 0.100 0.000 1.175 373 A CA 1.714 53.837 52.037 0.143 0.000 0.628 373 A CB -0.784 18.362 19.000 0.244 0.000 0.814 373 A HN 0.603 nan 8.150 nan 0.000 0.444 374 E N -0.011 120.241 120.200 0.087 0.000 2.077 374 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 374 E C 2.027 178.661 176.600 0.056 0.000 0.989 374 E CA 0.901 57.342 56.400 0.067 0.000 0.800 374 E CB -0.194 29.539 29.700 0.055 0.000 0.746 374 E HN 0.393 nan 8.360 nan 0.000 0.452 375 R N 0.256 120.787 120.500 0.051 0.000 2.148 375 R HA -0.028 4.312 4.340 -0.000 0.000 0.223 375 R C 2.336 178.665 176.300 0.048 0.000 1.088 375 R CA 0.728 56.855 56.100 0.045 0.000 0.985 375 R CB -0.316 30.008 30.300 0.041 0.000 0.880 375 R HN 0.398 nan 8.270 nan 0.000 0.451 376 Q N 0.025 119.860 119.800 0.058 0.000 2.123 376 Q HA 0.002 4.342 4.340 -0.000 0.000 0.199 376 Q C 2.148 178.171 176.000 0.038 0.000 0.966 376 Q CA 0.991 56.828 55.803 0.057 0.000 0.845 376 Q CB -0.019 28.763 28.738 0.074 0.000 0.907 376 Q HN 0.301 nan 8.270 nan 0.000 0.439 377 I N 0.619 121.213 120.570 0.039 0.000 2.252 377 I HA -0.237 3.932 4.170 -0.000 0.000 0.245 377 I C 2.412 178.552 176.117 0.039 0.000 1.102 377 I CA 0.856 62.172 61.300 0.026 0.000 1.385 377 I CB -0.392 37.629 38.000 0.035 0.000 1.064 377 I HN 0.144 nan 8.210 nan 0.000 0.414 378 A N 0.852 123.701 122.820 0.049 0.000 1.933 378 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 378 A C 2.446 180.044 177.584 0.022 0.000 1.175 378 A CA 1.875 53.944 52.037 0.053 0.000 0.628 378 A CB -0.614 18.415 19.000 0.049 0.000 0.814 378 A HN 0.380 nan 8.150 nan 0.000 0.444 379 R N -1.000 119.508 120.500 0.014 0.000 2.075 379 R HA -0.023 4.317 4.340 -0.000 0.000 0.226 379 R C 2.001 178.289 176.300 -0.020 0.000 1.114 379 R CA 1.339 57.438 56.100 -0.003 0.000 0.972 379 R CB -0.372 29.934 30.300 0.010 0.000 0.869 379 R HN 0.395 nan 8.270 nan 0.000 0.437 380 L N 1.115 122.331 121.223 -0.013 0.000 2.131 380 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 380 L C 1.907 178.746 176.870 -0.051 0.000 1.092 380 L CA 2.329 57.153 54.840 -0.028 0.000 0.759 380 L CB -0.363 41.679 42.059 -0.028 0.000 0.903 380 L HN 0.420 nan 8.230 nan 0.000 0.435 381 T N -4.554 109.970 114.554 -0.050 0.000 3.081 381 T HA 0.047 4.397 4.350 -0.000 0.000 0.250 381 T C 0.733 175.220 174.700 -0.356 0.000 1.100 381 T CA -0.183 61.855 62.100 -0.103 0.000 1.038 381 T CB -0.395 68.533 68.868 0.100 0.000 0.962 381 T HN 0.218 nan 8.240 nan 0.000 0.516 382 D N 2.776 123.035 120.400 -0.234 0.000 2.339 382 D HA 0.063 4.703 4.640 -0.000 0.000 0.241 382 D C 1.331 177.509 176.300 -0.204 0.000 1.183 382 D CA -0.256 53.588 54.000 -0.260 0.000 0.859 382 D CB 1.217 41.945 40.800 -0.120 0.000 1.067 382 D HN 0.617 nan 8.370 nan 0.000 0.484 383 E N 3.274 123.329 120.200 -0.242 0.000 2.267 383 E HA -0.208 4.142 4.350 -0.000 0.000 0.197 383 E C 1.042 177.593 176.600 -0.080 0.000 0.998 383 E CA 0.804 57.123 56.400 -0.134 0.000 0.830 383 E CB 0.075 29.712 29.700 -0.106 0.000 0.751 383 E HN 0.373 nan 8.360 nan 0.000 0.491 384 R N -0.001 120.453 120.500 -0.078 0.000 2.240 384 R HA 0.180 4.520 4.340 -0.000 0.000 0.203 384 R C 1.758 178.032 176.300 -0.043 0.000 1.011 384 R CA 0.527 56.597 56.100 -0.048 0.000 1.007 384 R CB 0.194 30.471 30.300 -0.039 0.000 0.911 384 R HN 0.268 nan 8.270 nan 0.000 0.468 385 L N 0.108 121.300 121.223 -0.052 0.000 2.781 385 L HA 0.122 4.462 4.340 -0.000 0.000 0.245 385 L C 0.523 177.371 176.870 -0.037 0.000 1.118 385 L CA -0.092 54.724 54.840 -0.040 0.000 0.918 385 L CB 0.189 42.226 42.059 -0.037 0.000 1.246 385 L HN 0.127 nan 8.230 nan 0.000 0.526 386 N N 0.769 119.441 118.700 -0.048 0.000 2.322 386 N HA -0.024 4.716 4.740 -0.000 0.000 0.216 386 N C 0.052 175.544 175.510 -0.029 0.000 1.144 386 N CA -0.321 52.706 53.050 -0.039 0.000 0.830 386 N CB -0.178 38.279 38.487 -0.051 0.000 1.034 386 N HN 0.050 nan 8.380 nan 0.000 0.484 387 R N -0.401 120.083 120.500 -0.027 0.000 3.251 387 R HA -0.181 4.159 4.340 -0.000 0.000 0.249 387 R C 0.770 177.058 176.300 -0.019 0.000 0.949 387 R CA 0.538 56.625 56.100 -0.021 0.000 0.645 387 R CB -2.046 28.244 30.300 -0.018 0.000 1.065 387 R HN 0.655 nan 8.270 nan 0.000 0.452 388 G N -1.029 107.759 108.800 -0.020 0.000 2.195 388 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.224 388 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.224 388 G C 0.244 175.134 174.900 -0.017 0.000 0.990 388 G CA 0.010 45.101 45.100 -0.015 0.000 0.639 388 G HN 0.256 nan 8.290 nan 0.000 0.514 389 L N 1.722 122.931 121.223 -0.023 0.000 2.436 389 L HA 0.417 4.757 4.340 -0.000 0.000 0.265 389 L C -1.598 175.258 176.870 -0.024 0.000 1.168 389 L CA -2.003 52.822 54.840 -0.024 0.000 0.815 389 L CB 0.665 42.709 42.059 -0.025 0.000 1.109 389 L HN -0.086 nan 8.230 nan 0.000 0.462 390 P HA 0.027 nan 4.420 nan 0.000 0.267 390 P C -2.476 174.855 177.300 0.053 0.000 1.200 390 P CA -0.843 62.258 63.100 0.002 0.000 0.772 390 P CB -0.209 31.382 31.700 -0.182 0.000 0.855 391 P HA 0.009 nan 4.420 nan 0.000 0.267 391 P C -0.235 177.123 177.300 0.097 0.000 1.209 391 P CA 0.281 63.333 63.100 -0.080 0.000 0.763 391 P CB -0.109 31.577 31.700 -0.024 0.000 0.816 392 F N 1.507 121.555 119.950 0.164 0.000 3.069 392 F HA -0.242 4.285 4.527 -0.000 0.000 0.285 392 F C 1.313 177.288 175.800 0.292 0.000 0.827 392 F CA 0.362 58.484 58.000 0.204 0.000 1.108 392 F CB -2.647 36.466 39.000 0.188 0.000 1.252 392 F HN 0.269 nan 8.300 nan 0.000 0.483 393 L N -1.695 119.694 121.223 0.277 0.000 3.839 393 L HA -0.320 4.020 4.340 -0.000 0.000 0.416 393 L C 1.354 178.379 176.870 0.259 0.000 1.195 393 L CA 1.045 56.020 54.840 0.225 0.000 0.946 393 L CB -1.973 40.216 42.059 0.217 0.000 1.891 393 L HN 0.697 nan 8.230 nan 0.000 0.963 394 H N 0.443 119.646 119.070 0.221 0.000 2.671 394 H HA 0.636 5.192 4.556 -0.000 0.000 0.372 394 H C 0.317 175.707 175.328 0.104 0.000 1.227 394 H CA -0.397 55.740 56.048 0.149 0.000 1.426 394 H CB 0.832 30.670 29.762 0.126 0.000 1.480 394 H HN 0.294 nan 8.280 nan 0.000 0.611 395 R N -0.172 120.335 120.500 0.012 0.000 2.892 395 R HA 0.476 4.816 4.340 -0.000 0.000 0.265 395 R C -0.161 176.236 176.300 0.161 0.000 1.025 395 R CA -0.240 55.842 56.100 -0.030 0.000 0.982 395 R CB 1.968 32.275 30.300 0.011 0.000 1.185 395 R HN 1.087 nan 8.270 nan 0.000 0.484 396 G N 1.213 110.079 108.800 0.110 0.000 2.741 396 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.222 396 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.222 396 G C -2.665 172.360 174.900 0.209 0.000 1.364 396 G CA -1.170 44.009 45.100 0.132 0.000 0.866 396 G HN 0.399 nan 8.290 nan 0.000 0.555 397 P HA 0.481 nan 4.420 nan 0.000 0.267 397 P C 0.307 177.626 177.300 0.032 0.000 1.209 397 P CA 0.761 63.922 63.100 0.101 0.000 0.763 397 P CB 0.851 32.578 31.700 0.045 0.000 0.816 398 A N 3.484 126.308 122.820 0.006 0.000 2.477 398 A HA 0.481 4.801 4.320 -0.000 0.000 0.246 398 A C 1.542 179.021 177.584 -0.176 0.000 1.078 398 A CA 0.888 52.736 52.037 -0.314 0.000 0.770 398 A CB -0.943 17.992 19.000 -0.108 0.000 1.011 398 A HN 0.808 nan 8.150 nan 0.000 0.494 399 G N 0.805 109.481 108.800 -0.207 0.000 3.079 399 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.214 399 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.214 399 G C 1.105 175.955 174.900 -0.083 0.000 1.335 399 G CA 0.410 45.451 45.100 -0.098 0.000 0.822 399 G HN 0.787 nan 8.290 nan 0.000 0.545 400 L N 1.002 122.183 121.223 -0.069 0.000 2.093 400 L HA 0.130 4.470 4.340 -0.000 0.000 0.208 400 L C 0.839 177.678 176.870 -0.052 0.000 1.085 400 L CA 0.989 55.803 54.840 -0.044 0.000 0.755 400 L CB -0.261 41.786 42.059 -0.020 0.000 0.904 400 L HN 0.307 nan 8.230 nan 0.000 0.435 401 N N -1.148 117.505 118.700 -0.079 0.000 2.362 401 N HA 0.183 4.923 4.740 -0.000 0.000 0.298 401 N C -0.039 175.401 175.510 -0.117 0.000 1.048 401 N CA -0.066 52.950 53.050 -0.056 0.000 0.858 401 N CB 2.034 40.552 38.487 0.050 0.000 1.218 401 N HN -0.164 nan 8.380 nan 0.000 0.488 402 S N 0.206 115.873 115.700 -0.054 0.000 2.603 402 S HA 0.232 4.701 4.470 -0.000 0.000 0.232 402 S C 1.308 175.937 174.600 0.049 0.000 1.016 402 S CA -0.050 58.123 58.200 -0.045 0.000 0.976 402 S CB 0.485 63.611 63.200 -0.124 0.000 0.921 402 S HN 0.912 nan 8.310 nan 0.000 0.516 403 G N 2.590 111.433 108.800 0.071 0.000 2.685 403 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.329 403 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.329 403 G C 0.289 175.121 174.900 -0.114 0.000 1.271 403 G CA 0.936 46.056 45.100 0.033 0.000 1.003 403 G HN 0.475 nan 8.290 nan 0.000 0.549 404 F N 1.408 121.443 119.950 0.141 0.000 2.693 404 F HA 0.413 4.940 4.527 -0.000 0.000 0.303 404 F C 2.449 178.268 175.800 0.031 0.000 1.143 404 F CA 0.978 59.035 58.000 0.095 0.000 1.389 404 F CB 0.046 39.123 39.000 0.129 0.000 1.060 404 F HN 0.339 nan 8.300 nan 0.000 0.535 405 M N 0.004 119.579 119.600 -0.042 0.000 2.149 405 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 405 M C 2.359 178.521 176.300 -0.230 0.000 1.064 405 M CA 2.229 57.229 55.300 -0.499 0.000 1.102 405 M CB -0.461 31.576 32.600 -0.938 0.000 1.369 405 M HN 0.301 nan 8.290 nan 0.000 0.408 406 G N -0.663 108.062 108.800 -0.125 0.000 2.394 406 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.214 406 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.214 406 G C 1.496 176.397 174.900 0.002 0.000 1.176 406 G CA 0.756 45.815 45.100 -0.069 0.000 0.786 406 G HN 0.620 nan 8.290 nan 0.000 0.533 407 A N -0.057 122.800 122.820 0.063 0.000 1.978 407 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 407 A C 2.275 179.928 177.584 0.114 0.000 1.170 407 A CA 2.081 54.189 52.037 0.118 0.000 0.636 407 A CB -0.416 18.732 19.000 0.248 0.000 0.810 407 A HN 0.394 nan 8.150 nan 0.000 0.448 408 Q N 0.036 119.917 119.800 0.134 0.000 2.084 408 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 408 Q C 2.111 178.162 176.000 0.085 0.000 0.978 408 Q CA 2.027 57.910 55.803 0.133 0.000 0.844 408 Q CB -0.308 28.562 28.738 0.219 0.000 0.898 408 Q HN 0.434 nan 8.270 nan 0.000 0.426 409 V N 0.550 120.494 119.914 0.050 0.000 2.427 409 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 409 V C 2.362 178.475 176.094 0.032 0.000 1.051 409 V CA 2.024 64.343 62.300 0.031 0.000 1.048 409 V CB -0.825 30.998 31.823 -0.001 0.000 0.666 409 V HN 0.377 nan 8.190 nan 0.000 0.456 410 T N 0.407 114.980 114.554 0.032 0.000 2.788 410 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 410 T C 2.068 176.791 174.700 0.038 0.000 1.044 410 T CA 1.607 63.725 62.100 0.031 0.000 1.139 410 T CB -0.374 68.512 68.868 0.030 0.000 0.867 410 T HN 0.578 nan 8.240 nan 0.000 0.454 411 A N 1.239 124.088 122.820 0.049 0.000 1.902 411 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 411 A C 2.553 180.167 177.584 0.050 0.000 1.181 411 A CA 2.122 54.191 52.037 0.052 0.000 0.623 411 A CB -1.222 17.814 19.000 0.059 0.000 0.818 411 A HN 0.480 nan 8.150 nan 0.000 0.443 412 T N 0.293 114.876 114.554 0.047 0.000 2.788 412 T HA -0.003 4.346 4.350 -0.000 0.000 0.268 412 T C 2.194 176.914 174.700 0.033 0.000 1.044 412 T CA 1.502 63.626 62.100 0.040 0.000 1.139 412 T CB -0.420 68.472 68.868 0.041 0.000 0.867 412 T HN 0.598 nan 8.240 nan 0.000 0.454 413 A N 1.252 124.090 122.820 0.030 0.000 1.933 413 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 413 A C 2.295 179.895 177.584 0.027 0.000 1.175 413 A CA 1.092 53.143 52.037 0.024 0.000 0.628 413 A CB -0.786 18.227 19.000 0.020 0.000 0.814 413 A HN 0.473 nan 8.150 nan 0.000 0.444 414 L N -1.153 120.090 121.223 0.033 0.000 2.056 414 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 414 L C 2.557 179.451 176.870 0.039 0.000 1.078 414 L CA 1.114 55.977 54.840 0.038 0.000 0.749 414 L CB -0.539 41.548 42.059 0.047 0.000 0.901 414 L HN 0.458 nan 8.230 nan 0.000 0.433 415 L N 0.301 121.547 121.223 0.038 0.000 2.056 415 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 415 L C 2.663 179.543 176.870 0.018 0.000 1.078 415 L CA 1.963 56.821 54.840 0.029 0.000 0.749 415 L CB -0.723 41.353 42.059 0.028 0.000 0.901 415 L HN 0.133 nan 8.230 nan 0.000 0.433 416 A N -0.803 122.028 122.820 0.019 0.000 1.908 416 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 416 A C 2.338 179.930 177.584 0.014 0.000 1.181 416 A CA 1.976 54.022 52.037 0.015 0.000 0.627 416 A CB -0.771 18.238 19.000 0.016 0.000 0.818 416 A HN 0.637 nan 8.150 nan 0.000 0.445 417 E N -0.687 119.524 120.200 0.018 0.000 2.072 417 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 417 E C 2.056 178.667 176.600 0.018 0.000 0.985 417 E CA 1.287 57.697 56.400 0.018 0.000 0.801 417 E CB -0.205 29.508 29.700 0.021 0.000 0.750 417 E HN 0.677 nan 8.360 nan 0.000 0.452 418 M N -0.003 119.609 119.600 0.019 0.000 2.108 418 M HA -0.186 4.294 4.480 -0.000 0.000 0.261 418 M C 2.354 178.659 176.300 0.007 0.000 1.066 418 M CA 1.603 56.912 55.300 0.016 0.000 1.107 418 M CB -0.230 32.377 32.600 0.010 0.000 1.356 418 M HN 0.016 nan 8.290 nan 0.000 0.406 419 R N 0.102 120.605 120.500 0.003 0.000 2.193 419 R HA -0.046 4.294 4.340 -0.000 0.000 0.229 419 R C 2.210 178.514 176.300 0.008 0.000 1.110 419 R CA 1.119 57.220 56.100 0.001 0.000 0.988 419 R CB -0.453 29.847 30.300 -0.001 0.000 0.871 419 R HN 0.386 nan 8.270 nan 0.000 0.458 420 A N 0.470 123.297 122.820 0.011 0.000 2.067 420 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 420 A C 0.762 178.357 177.584 0.018 0.000 1.158 420 A CA 0.960 53.005 52.037 0.013 0.000 0.661 420 A CB 0.074 19.081 19.000 0.012 0.000 0.801 420 A HN 0.113 nan 8.150 nan 0.000 0.452 421 T N -0.013 114.553 114.554 0.020 0.000 2.771 421 T HA 0.556 4.906 4.350 -0.000 0.000 0.281 421 T C 0.448 175.169 174.700 0.036 0.000 0.982 421 T CA 0.029 62.146 62.100 0.028 0.000 0.978 421 T CB 1.564 70.448 68.868 0.027 0.000 0.930 421 T HN 0.365 nan 8.240 nan 0.000 0.447 422 G N 2.909 111.744 108.800 0.057 0.000 2.828 422 G HA2 0.681 4.641 3.960 -0.000 0.000 0.244 422 G HA3 0.681 4.641 3.960 -0.000 0.000 0.244 422 G C -2.636 172.311 174.900 0.079 0.000 1.365 422 G CA -1.574 43.563 45.100 0.062 0.000 1.041 422 G HN 0.450 nan 8.290 nan 0.000 0.560 423 P HA 0.274 nan 4.420 nan 0.000 0.267 423 P C 0.312 177.676 177.300 0.107 0.000 1.200 423 P CA 0.323 63.459 63.100 0.060 0.000 0.772 423 P CB 1.323 33.035 31.700 0.020 0.000 0.855 424 A N 1.850 124.734 122.820 0.107 0.000 2.044 424 A HA -0.035 4.285 4.320 -0.000 0.000 0.213 424 A C 2.040 179.695 177.584 0.118 0.000 1.169 424 A CA 0.974 53.113 52.037 0.169 0.000 0.724 424 A CB -1.017 18.052 19.000 0.115 0.000 0.840 424 A HN 0.475 nan 8.150 nan 0.000 0.463 425 S N 0.618 116.342 115.700 0.040 0.000 2.419 425 S HA -0.175 4.295 4.470 -0.000 0.000 0.235 425 S C 1.680 176.243 174.600 -0.062 0.000 1.019 425 S CA 1.541 59.744 58.200 0.004 0.000 0.982 425 S CB -0.679 62.525 63.200 0.005 0.000 0.789 425 S HN 0.796 nan 8.310 nan 0.000 0.490 426 I N -1.307 119.148 120.570 -0.192 0.000 3.444 426 I HA 0.059 4.229 4.170 -0.000 0.000 0.287 426 I C 0.654 176.538 176.117 -0.389 0.000 1.302 426 I CA 0.925 62.044 61.300 -0.301 0.000 1.368 426 I CB -0.345 37.429 38.000 -0.376 0.000 1.048 426 I HN 0.164 nan 8.210 nan 0.000 0.487 427 H N 1.300 120.381 119.070 0.019 0.000 2.550 427 H HA 0.313 4.869 4.556 -0.000 0.000 0.304 427 H C 0.645 175.986 175.328 0.021 0.000 1.086 427 H CA -0.229 55.830 56.048 0.019 0.000 1.089 427 H CB 0.059 29.832 29.762 0.019 0.000 1.528 427 H HN 0.301 nan 8.280 nan 0.000 0.539 428 S N 1.231 116.975 115.700 0.074 0.000 2.552 428 S HA 0.203 4.673 4.470 -0.000 0.000 0.289 428 S C 0.271 174.909 174.600 0.064 0.000 1.304 428 S CA -0.212 58.026 58.200 0.064 0.000 1.063 428 S CB 0.029 63.252 63.200 0.039 0.000 0.848 428 S HN 0.307 nan 8.310 nan 0.000 0.499 429 I N 3.325 123.932 120.570 0.060 0.000 2.534 429 I HA 0.217 4.387 4.170 -0.000 0.000 0.288 429 I C 0.027 176.170 176.117 0.044 0.000 1.077 429 I CA -0.613 60.718 61.300 0.051 0.000 1.051 429 I CB 2.127 40.158 38.000 0.051 0.000 1.234 429 I HN 0.589 nan 8.210 nan 0.000 0.425 430 S N 4.028 119.751 115.700 0.038 0.000 2.525 430 S HA 0.274 4.744 4.470 -0.000 0.000 0.285 430 S C -0.189 174.432 174.600 0.035 0.000 1.283 430 S CA 0.428 58.650 58.200 0.036 0.000 1.072 430 S CB 0.309 63.528 63.200 0.031 0.000 0.867 430 S HN 0.777 nan 8.310 nan 0.000 0.492 431 T N 3.027 117.604 114.554 0.037 0.000 2.654 431 T HA 0.414 4.764 4.350 -0.000 0.000 0.289 431 T C -0.342 174.380 174.700 0.036 0.000 1.062 431 T CA -0.103 62.018 62.100 0.035 0.000 1.041 431 T CB 0.758 69.649 68.868 0.037 0.000 1.417 431 T HN 0.914 nan 8.240 nan 0.000 0.510 432 N N 0.547 119.268 118.700 0.036 0.000 2.727 432 N HA -0.219 4.521 4.740 -0.000 0.000 0.251 432 N C 0.283 175.812 175.510 0.033 0.000 1.040 432 N CA 0.751 53.824 53.050 0.038 0.000 0.712 432 N CB -1.177 37.337 38.487 0.045 0.000 0.912 432 N HN 1.540 nan 8.380 nan 0.000 0.545 433 A N -0.598 122.238 122.820 0.026 0.000 2.783 433 A HA 0.003 4.323 4.320 -0.000 0.000 0.292 433 A C 1.332 178.931 177.584 0.025 0.000 1.495 433 A CA 2.072 54.122 52.037 0.022 0.000 0.787 433 A CB -2.264 16.746 19.000 0.018 0.000 1.017 433 A HN 2.241 nan 8.150 nan 0.000 0.516 434 A N -2.394 120.442 122.820 0.027 0.000 3.396 434 A HA -0.356 3.964 4.320 -0.000 0.000 0.267 434 A C 1.393 178.997 177.584 0.033 0.000 1.139 434 A CA 1.999 54.053 52.037 0.029 0.000 1.115 434 A CB -2.517 16.497 19.000 0.024 0.000 1.133 434 A HN 2.192 nan 8.150 nan 0.000 0.920 435 N N -0.020 118.702 118.700 0.037 0.000 2.188 435 N HA -0.087 4.653 4.740 -0.000 0.000 0.184 435 N C 0.992 176.531 175.510 0.049 0.000 1.018 435 N CA 1.865 54.940 53.050 0.042 0.000 0.858 435 N CB -0.149 38.367 38.487 0.048 0.000 0.989 435 N HN 0.754 nan 8.380 nan 0.000 0.426 436 Q N 0.460 120.289 119.800 0.048 0.000 3.008 436 Q HA 0.074 4.414 4.340 -0.000 0.000 0.307 436 Q C -0.436 175.596 176.000 0.053 0.000 1.273 436 Q CA -0.304 55.533 55.803 0.058 0.000 1.091 436 Q CB 0.605 29.372 28.738 0.049 0.000 1.393 436 Q HN 0.492 nan 8.270 nan 0.000 0.521 437 D N -0.509 119.920 120.400 0.049 0.000 2.350 437 D HA -0.085 4.555 4.640 -0.000 0.000 0.216 437 D C 0.683 177.008 176.300 0.042 0.000 0.968 437 D CA 0.470 54.495 54.000 0.041 0.000 0.894 437 D CB 0.068 40.888 40.800 0.034 0.000 0.909 437 D HN 0.198 nan 8.370 nan 0.000 0.520 438 V N -1.656 118.289 119.914 0.051 0.000 2.686 438 V HA 0.743 4.863 4.120 -0.000 0.000 0.306 438 V C -0.369 175.764 176.094 0.065 0.000 1.065 438 V CA -1.240 61.089 62.300 0.049 0.000 0.894 438 V CB 1.837 33.684 31.823 0.039 0.000 1.004 438 V HN 0.095 nan 8.190 nan 0.000 0.424 439 V N 1.063 121.014 119.914 0.062 0.000 2.962 439 V HA 0.783 4.903 4.120 -0.000 0.000 0.313 439 V C 1.051 177.184 176.094 0.064 0.000 1.099 439 V CA 0.281 62.625 62.300 0.073 0.000 0.971 439 V CB 1.529 33.393 31.823 0.068 0.000 1.028 439 V HN 1.279 nan 8.190 nan 0.000 0.430 440 S N 2.380 118.123 115.700 0.071 0.000 2.425 440 S HA 0.105 4.575 4.470 -0.000 0.000 0.225 440 S C 1.147 175.780 174.600 0.055 0.000 1.024 440 S CA 1.062 59.296 58.200 0.057 0.000 0.951 440 S CB -0.859 62.377 63.200 0.061 0.000 0.796 440 S HN 1.378 nan 8.310 nan 0.000 0.498 441 L N 0.354 121.614 121.223 0.062 0.000 4.040 441 L HA -0.204 4.136 4.340 -0.000 0.000 0.410 441 L C 1.544 178.448 176.870 0.057 0.000 1.187 441 L CA 0.014 54.892 54.840 0.062 0.000 0.956 441 L CB -2.305 39.799 42.059 0.075 0.000 2.022 441 L HN 0.528 nan 8.230 nan 0.000 0.897 442 G N -0.194 108.637 108.800 0.053 0.000 2.442 442 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 442 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 442 G C 1.286 176.214 174.900 0.046 0.000 1.141 442 G CA 1.469 46.597 45.100 0.047 0.000 0.763 442 G HN 0.484 nan 8.290 nan 0.000 0.554 443 T N 1.224 115.804 114.554 0.044 0.000 2.777 443 T HA -0.024 4.326 4.350 -0.000 0.000 0.266 443 T C 2.375 177.099 174.700 0.041 0.000 1.040 443 T CA 0.985 63.108 62.100 0.038 0.000 1.141 443 T CB -0.118 68.769 68.868 0.032 0.000 0.868 443 T HN 0.281 nan 8.240 nan 0.000 0.444 444 I N 1.577 122.174 120.570 0.044 0.000 2.252 444 I HA -0.125 4.045 4.170 -0.000 0.000 0.245 444 I C 3.004 179.153 176.117 0.053 0.000 1.102 444 I CA 0.998 62.326 61.300 0.046 0.000 1.385 444 I CB -0.521 37.509 38.000 0.050 0.000 1.064 444 I HN 0.209 nan 8.210 nan 0.000 0.414 445 A N 0.849 123.704 122.820 0.059 0.000 1.883 445 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 445 A C 2.546 180.169 177.584 0.063 0.000 1.186 445 A CA 2.035 54.110 52.037 0.063 0.000 0.624 445 A CB -0.923 18.114 19.000 0.061 0.000 0.822 445 A HN 0.428 nan 8.150 nan 0.000 0.444 446 A N -0.418 122.441 122.820 0.064 0.000 1.902 446 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 446 A C 2.249 179.872 177.584 0.065 0.000 1.181 446 A CA 1.527 53.608 52.037 0.073 0.000 0.623 446 A CB -0.438 18.605 19.000 0.072 0.000 0.818 446 A HN 0.558 nan 8.150 nan 0.000 0.443 447 R N -0.537 119.995 120.500 0.054 0.000 2.075 447 R HA 0.016 4.355 4.340 -0.000 0.000 0.232 447 R C 2.002 178.332 176.300 0.049 0.000 1.126 447 R CA 1.327 57.456 56.100 0.048 0.000 0.963 447 R CB -0.462 29.860 30.300 0.038 0.000 0.858 447 R HN 0.499 nan 8.270 nan 0.000 0.435 448 L N -0.219 121.033 121.223 0.049 0.000 2.093 448 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 448 L C 2.752 179.652 176.870 0.049 0.000 1.085 448 L CA 0.761 55.629 54.840 0.046 0.000 0.755 448 L CB -0.518 41.570 42.059 0.048 0.000 0.904 448 L HN 0.376 nan 8.230 nan 0.000 0.435 449 C N 0.332 119.663 119.300 0.053 0.000 2.446 449 C HA -0.153 4.307 4.460 -0.000 0.000 0.277 449 C C 3.098 178.126 174.990 0.063 0.000 1.275 449 C CA 0.858 59.906 59.018 0.050 0.000 1.727 449 C CB -0.542 27.226 27.740 0.047 0.000 2.010 449 C HN 0.492 nan 8.230 nan 0.000 0.486 450 R N 1.289 121.830 120.500 0.068 0.000 2.081 450 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 450 R C 2.105 178.452 176.300 0.079 0.000 1.131 450 R CA 2.001 58.148 56.100 0.078 0.000 0.960 450 R CB -0.813 29.532 30.300 0.074 0.000 0.856 450 R HN 0.531 nan 8.270 nan 0.000 0.436 451 E N 0.724 120.963 120.200 0.065 0.000 2.118 451 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 451 E C 1.847 178.491 176.600 0.073 0.000 0.992 451 E CA 1.371 57.808 56.400 0.061 0.000 0.804 451 E CB -0.116 29.613 29.700 0.047 0.000 0.741 451 E HN 0.433 nan 8.360 nan 0.000 0.458 452 K N 0.256 120.700 120.400 0.072 0.000 2.097 452 K HA -0.013 4.307 4.320 -0.000 0.000 0.205 452 K C 2.295 178.984 176.600 0.149 0.000 1.050 452 K CA 0.696 57.032 56.287 0.080 0.000 0.938 452 K CB -0.093 32.432 32.500 0.042 0.000 0.718 452 K HN 0.088 nan 8.250 nan 0.000 0.442 453 I N 1.441 122.111 120.570 0.166 0.000 2.226 453 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 453 I C 1.540 177.777 176.117 0.198 0.000 1.100 453 I CA 1.164 62.616 61.300 0.254 0.000 1.374 453 I CB -0.201 37.916 38.000 0.196 0.000 1.057 453 I HN 0.139 nan 8.210 nan 0.000 0.413 454 D N 0.516 120.992 120.400 0.126 0.000 2.144 454 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 454 D C 2.321 178.673 176.300 0.087 0.000 0.978 454 D CA 0.865 54.916 54.000 0.083 0.000 0.833 454 D CB -0.180 40.658 40.800 0.064 0.000 0.961 454 D HN 0.191 nan 8.370 nan 0.000 0.470 455 R N -0.130 120.440 120.500 0.116 0.000 2.090 455 R HA -0.098 4.242 4.340 -0.000 0.000 0.228 455 R C 2.118 178.527 176.300 0.182 0.000 1.110 455 R CA 0.412 56.581 56.100 0.114 0.000 0.973 455 R CB -1.011 29.348 30.300 0.098 0.000 0.869 455 R HN 0.334 nan 8.270 nan 0.000 0.440 456 W N 1.979 123.280 121.300 0.002 0.000 2.358 456 W HA -0.084 4.576 4.660 -0.000 0.000 0.303 456 W C 2.074 178.585 176.519 -0.013 0.000 1.208 456 W CA 1.409 58.755 57.345 0.003 0.000 1.274 456 W CB -0.618 28.851 29.460 0.014 0.000 1.138 456 W HN 0.130 nan 8.180 nan 0.000 0.515 457 A N 0.170 122.985 122.820 -0.008 0.000 1.933 457 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 457 A C 1.860 179.357 177.584 -0.146 0.000 1.175 457 A CA 1.957 53.875 52.037 -0.199 0.000 0.628 457 A CB -0.725 18.184 19.000 -0.152 0.000 0.814 457 A HN 0.478 nan 8.150 nan 0.000 0.444 458 E N -0.432 119.740 120.200 -0.045 0.000 2.107 458 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 458 E C 1.808 178.392 176.600 -0.027 0.000 0.982 458 E CA 1.040 57.416 56.400 -0.041 0.000 0.809 458 E CB -0.226 29.474 29.700 -0.000 0.000 0.756 458 E HN 0.702 nan 8.360 nan 0.000 0.459 459 I N 0.864 121.452 120.570 0.032 0.000 2.252 459 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 459 I C 2.208 178.335 176.117 0.016 0.000 1.102 459 I CA 0.920 62.255 61.300 0.059 0.000 1.385 459 I CB -0.109 37.979 38.000 0.147 0.000 1.064 459 I HN 0.098 nan 8.210 nan 0.000 0.414 460 L N 0.419 121.621 121.223 -0.035 0.000 2.083 460 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 460 L C 2.816 179.580 176.870 -0.178 0.000 1.083 460 L CA 1.234 56.010 54.840 -0.107 0.000 0.752 460 L CB -0.656 41.245 42.059 -0.263 0.000 0.899 460 L HN 0.239 nan 8.230 nan 0.000 0.433 461 A N 0.230 122.914 122.820 -0.226 0.000 1.933 461 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 461 A C 2.205 179.673 177.584 -0.193 0.000 1.175 461 A CA 1.469 53.340 52.037 -0.276 0.000 0.628 461 A CB -0.605 18.237 19.000 -0.264 0.000 0.814 461 A HN 0.364 nan 8.150 nan 0.000 0.444 462 I N -0.909 119.597 120.570 -0.108 0.000 2.252 462 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 462 I C 2.399 178.456 176.117 -0.100 0.000 1.102 462 I CA 1.074 62.338 61.300 -0.060 0.000 1.385 462 I CB -0.265 37.735 38.000 -0.000 0.000 1.064 462 I HN 0.383 nan 8.210 nan 0.000 0.414 463 L N 1.293 122.471 121.223 -0.075 0.000 2.083 463 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 463 L C 2.523 179.341 176.870 -0.087 0.000 1.083 463 L CA 2.085 56.885 54.840 -0.067 0.000 0.752 463 L CB -0.818 41.240 42.059 -0.001 0.000 0.899 463 L HN 0.182 nan 8.230 nan 0.000 0.433 464 A N -0.540 122.225 122.820 -0.091 0.000 1.877 464 A HA -0.150 4.169 4.320 -0.000 0.000 0.216 464 A C 2.260 179.784 177.584 -0.101 0.000 1.186 464 A CA 1.913 53.912 52.037 -0.064 0.000 0.620 464 A CB -0.860 18.062 19.000 -0.129 0.000 0.822 464 A HN 0.492 nan 8.150 nan 0.000 0.443 465 L N -0.892 120.237 121.223 -0.157 0.000 2.083 465 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 465 L C 2.718 179.417 176.870 -0.284 0.000 1.083 465 L CA 1.155 55.928 54.840 -0.113 0.000 0.752 465 L CB -0.685 41.377 42.059 0.004 0.000 0.899 465 L HN 0.491 nan 8.230 nan 0.000 0.433 466 C N -0.216 118.767 119.300 -0.529 0.000 2.453 466 C HA -0.131 4.329 4.460 -0.000 0.000 0.277 466 C C 2.745 177.525 174.990 -0.350 0.000 1.262 466 C CA 0.454 58.994 59.018 -0.796 0.000 1.718 466 C CB -0.707 26.686 27.740 -0.578 0.000 2.031 466 C HN 0.427 nan 8.230 nan 0.000 0.480 467 L N 0.909 122.025 121.223 -0.178 0.000 2.141 467 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 467 L C 2.833 179.687 176.870 -0.025 0.000 1.094 467 L CA 1.429 56.229 54.840 -0.067 0.000 0.763 467 L CB -0.643 41.411 42.059 -0.008 0.000 0.908 467 L HN 0.344 nan 8.230 nan 0.000 0.437 468 A N -0.392 122.420 122.820 -0.013 0.000 1.902 468 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 468 A C 2.210 179.822 177.584 0.047 0.000 1.181 468 A CA 1.910 53.970 52.037 0.039 0.000 0.623 468 A CB -0.468 18.573 19.000 0.069 0.000 0.818 468 A HN 0.421 nan 8.150 nan 0.000 0.443 469 Q N -0.364 119.460 119.800 0.040 0.000 2.046 469 Q HA 0.018 4.358 4.340 -0.000 0.000 0.200 469 Q C 2.076 178.103 176.000 0.045 0.000 0.975 469 Q CA 1.975 57.835 55.803 0.094 0.000 0.836 469 Q CB -0.497 28.375 28.738 0.223 0.000 0.896 469 Q HN 0.538 nan 8.270 nan 0.000 0.428 470 A N 0.454 123.270 122.820 -0.007 0.000 1.902 470 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 470 A C 2.299 179.888 177.584 0.008 0.000 1.181 470 A CA 1.796 53.829 52.037 -0.007 0.000 0.623 470 A CB -1.216 17.765 19.000 -0.031 0.000 0.818 470 A HN 0.547 nan 8.150 nan 0.000 0.443 471 A N -0.016 122.812 122.820 0.015 0.000 1.902 471 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 471 A C 1.914 179.513 177.584 0.025 0.000 1.181 471 A CA 1.704 53.755 52.037 0.023 0.000 0.623 471 A CB -0.549 18.470 19.000 0.032 0.000 0.818 471 A HN 0.655 nan 8.150 nan 0.000 0.443 472 E N -0.283 119.936 120.200 0.032 0.000 2.152 472 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 472 E C 1.902 178.515 176.600 0.022 0.000 0.983 472 E CA 0.836 57.255 56.400 0.031 0.000 0.818 472 E CB -0.238 29.488 29.700 0.043 0.000 0.758 472 E HN 0.614 nan 8.360 nan 0.000 0.467 473 L N 0.414 121.648 121.223 0.019 0.000 2.109 473 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 473 L C 2.627 179.498 176.870 0.002 0.000 1.086 473 L CA 0.849 55.693 54.840 0.006 0.000 0.760 473 L CB -0.116 41.942 42.059 -0.001 0.000 0.910 473 L HN 0.014 nan 8.230 nan 0.000 0.437 474 R N -0.279 120.224 120.500 0.005 0.000 2.066 474 R HA -0.036 4.304 4.340 -0.000 0.000 0.224 474 R C 1.860 178.164 176.300 0.007 0.000 1.122 474 R CA 1.617 57.720 56.100 0.004 0.000 0.974 474 R CB -0.419 29.884 30.300 0.005 0.000 0.871 474 R HN 0.333 nan 8.270 nan 0.000 0.435 475 C N 0.165 119.472 119.300 0.012 0.000 3.038 475 C HA 0.654 5.114 4.460 -0.000 0.000 0.279 475 C C 0.694 175.693 174.990 0.014 0.000 1.276 475 C CA -0.268 58.758 59.018 0.014 0.000 1.697 475 C CB -0.798 26.953 27.740 0.017 0.000 2.032 475 C HN 0.740 nan 8.230 nan 0.000 0.636 476 G N 1.612 110.421 108.800 0.014 0.000 2.746 476 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.685 476 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.685 476 G C 0.706 175.618 174.900 0.020 0.000 1.350 476 G CA 0.066 45.175 45.100 0.015 0.000 0.837 476 G HN 0.732 nan 8.290 nan 0.000 0.564 477 S N -0.798 114.915 115.700 0.020 0.000 2.419 477 S HA 0.043 4.513 4.470 -0.000 0.000 0.235 477 S C 2.391 177.006 174.600 0.024 0.000 1.019 477 S CA 1.964 60.178 58.200 0.024 0.000 0.982 477 S CB -0.244 62.970 63.200 0.023 0.000 0.789 477 S HN 2.187 nan 8.310 nan 0.000 0.490 478 G N 0.821 109.633 108.800 0.020 0.000 2.920 478 G HA2 0.360 4.320 3.960 -0.000 0.000 0.208 478 G HA3 0.360 4.320 3.960 -0.000 0.000 0.208 478 G C 0.527 175.439 174.900 0.020 0.000 1.159 478 G CA -0.103 45.008 45.100 0.019 0.000 0.784 478 G HN 0.600 nan 8.290 nan 0.000 0.535 479 L N 0.818 122.054 121.223 0.022 0.000 3.660 479 L HA -0.165 4.175 4.340 -0.000 0.000 0.440 479 L C 0.155 177.037 176.870 0.020 0.000 1.262 479 L CA 0.151 55.005 54.840 0.023 0.000 0.837 479 L CB -1.713 40.362 42.059 0.027 0.000 1.689 479 L HN 0.368 nan 8.230 nan 0.000 0.890 480 D N 1.151 121.561 120.400 0.017 0.000 2.487 480 D HA 0.213 4.853 4.640 -0.000 0.000 0.243 480 D C 1.370 177.679 176.300 0.016 0.000 1.154 480 D CA 1.527 55.536 54.000 0.015 0.000 0.876 480 D CB 0.997 41.805 40.800 0.013 0.000 1.161 480 D HN 0.542 nan 8.370 nan 0.000 0.478 481 G N 2.674 111.484 108.800 0.016 0.000 2.199 481 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 481 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 481 G C 0.471 175.383 174.900 0.020 0.000 0.982 481 G CA 0.281 45.392 45.100 0.017 0.000 0.632 481 G HN 0.588 nan 8.290 nan 0.000 0.529 482 V N 2.444 122.371 119.914 0.022 0.000 2.686 482 V HA 0.497 4.617 4.120 -0.000 0.000 0.295 482 V C 1.489 177.598 176.094 0.025 0.000 1.055 482 V CA 0.154 62.470 62.300 0.026 0.000 1.050 482 V CB 1.408 33.248 31.823 0.028 0.000 0.984 482 V HN 1.081 nan 8.190 nan 0.000 0.482 483 S N 4.935 120.653 115.700 0.029 0.000 2.569 483 S HA 0.122 4.592 4.470 -0.000 0.000 0.274 483 S C -1.676 172.937 174.600 0.021 0.000 1.353 483 S CA -0.589 57.627 58.200 0.027 0.000 1.023 483 S CB 0.542 63.763 63.200 0.035 0.000 0.876 483 S HN 0.578 nan 8.310 nan 0.000 0.540 484 P HA -0.074 nan 4.420 nan 0.000 0.215 484 P C 1.657 178.961 177.300 0.007 0.000 1.153 484 P CA 2.023 65.130 63.100 0.011 0.000 0.853 484 P CB -0.252 31.453 31.700 0.007 0.000 0.788 485 A N -0.305 122.517 122.820 0.003 0.000 1.902 485 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 485 A C 2.491 180.072 177.584 -0.005 0.000 1.181 485 A CA 2.089 54.120 52.037 -0.010 0.000 0.623 485 A CB -1.878 17.110 19.000 -0.019 0.000 0.818 485 A HN 0.277 nan 8.150 nan 0.000 0.443 486 G N -0.377 108.430 108.800 0.012 0.000 2.418 486 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 486 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 486 G C 1.683 176.601 174.900 0.030 0.000 1.158 486 G CA 1.098 46.213 45.100 0.025 0.000 0.771 486 G HN 0.570 nan 8.290 nan 0.000 0.545 487 K N 0.231 120.647 120.400 0.026 0.000 2.002 487 K HA -0.072 4.248 4.320 -0.000 0.000 0.209 487 K C 2.450 179.069 176.600 0.031 0.000 1.048 487 K CA 1.386 57.690 56.287 0.029 0.000 0.930 487 K CB -0.173 32.341 32.500 0.023 0.000 0.714 487 K HN 0.237 nan 8.250 nan 0.000 0.438 488 K N 1.381 121.794 120.400 0.022 0.000 2.063 488 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 488 K C 2.158 178.779 176.600 0.036 0.000 1.048 488 K CA 1.101 57.401 56.287 0.022 0.000 0.928 488 K CB -0.116 32.388 32.500 0.006 0.000 0.713 488 K HN 0.114 nan 8.250 nan 0.000 0.442 489 L N 0.473 121.715 121.223 0.031 0.000 2.005 489 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 489 L C 2.066 179.001 176.870 0.110 0.000 1.072 489 L CA 1.168 56.044 54.840 0.061 0.000 0.744 489 L CB -0.185 41.894 42.059 0.032 0.000 0.895 489 L HN 0.017 nan 8.230 nan 0.000 0.433 490 V N 0.062 120.029 119.914 0.088 0.000 2.407 490 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 490 V C 2.486 178.634 176.094 0.090 0.000 1.055 490 V CA 2.050 64.406 62.300 0.093 0.000 1.049 490 V CB -0.714 31.151 31.823 0.071 0.000 0.662 490 V HN 0.567 nan 8.190 nan 0.000 0.455 491 Q N 0.050 119.893 119.800 0.070 0.000 2.084 491 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 491 Q C 2.448 178.489 176.000 0.068 0.000 0.978 491 Q CA 1.732 57.571 55.803 0.060 0.000 0.844 491 Q CB -0.449 28.315 28.738 0.043 0.000 0.898 491 Q HN 0.664 nan 8.270 nan 0.000 0.426 492 A N 0.985 123.855 122.820 0.082 0.000 1.933 492 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 492 A C 2.085 179.739 177.584 0.116 0.000 1.175 492 A CA 1.071 53.162 52.037 0.090 0.000 0.628 492 A CB -0.612 18.456 19.000 0.114 0.000 0.814 492 A HN 0.270 nan 8.150 nan 0.000 0.444 493 L N -1.175 120.148 121.223 0.166 0.000 2.056 493 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 493 L C 2.660 179.673 176.870 0.239 0.000 1.078 493 L CA 0.897 55.885 54.840 0.247 0.000 0.749 493 L CB -0.417 41.770 42.059 0.213 0.000 0.901 493 L HN 0.243 nan 8.230 nan 0.000 0.433 494 R N 0.372 120.960 120.500 0.148 0.000 2.293 494 R HA -0.129 4.211 4.340 -0.000 0.000 0.219 494 R C 1.868 178.192 176.300 0.040 0.000 1.091 494 R CA 0.741 56.904 56.100 0.105 0.000 1.004 494 R CB -0.379 29.969 30.300 0.080 0.000 0.865 494 R HN 0.539 nan 8.270 nan 0.000 0.469 495 E N 0.045 120.257 120.200 0.021 0.000 2.150 495 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 495 E C 1.470 178.001 176.600 -0.116 0.000 0.985 495 E CA 0.850 57.230 56.400 -0.033 0.000 0.814 495 E CB 0.255 29.939 29.700 -0.026 0.000 0.752 495 E HN 0.224 nan 8.360 nan 0.000 0.466 496 Q N -1.207 118.472 119.800 -0.203 0.000 2.322 496 Q HA 0.135 4.475 4.340 -0.000 0.000 0.250 496 Q C -0.340 175.187 176.000 -0.789 0.000 0.853 496 Q CA 0.316 55.800 55.803 -0.531 0.000 0.951 496 Q CB 0.846 29.123 28.738 -0.768 0.000 1.114 496 Q HN 0.118 nan 8.270 nan 0.000 0.523 497 F N 2.116 122.059 119.950 -0.011 0.000 2.430 497 F HA 0.424 4.951 4.527 -0.000 0.000 0.362 497 F C -2.122 173.693 175.800 0.024 0.000 1.103 497 F CA -2.615 55.389 58.000 0.007 0.000 1.045 497 F CB 1.309 40.317 39.000 0.014 0.000 1.276 497 F HN -0.190 nan 8.300 nan 0.000 0.444 498 P HA 0.170 nan 4.420 nan 0.000 0.270 498 P C -2.460 174.912 177.300 0.120 0.000 1.223 498 P CA -0.966 62.188 63.100 0.090 0.000 0.785 498 P CB 0.125 31.851 31.700 0.045 0.000 0.923 499 P HA 0.069 nan 4.420 nan 0.000 0.270 499 P C -0.627 176.723 177.300 0.083 0.000 1.223 499 P CA -0.040 63.124 63.100 0.105 0.000 0.785 499 P CB 0.269 32.015 31.700 0.077 0.000 0.923 500 L N 2.063 123.339 121.223 0.089 0.000 2.397 500 L HA 0.155 4.495 4.340 -0.000 0.000 0.263 500 L C 1.006 177.885 176.870 0.014 0.000 1.136 500 L CA 0.546 55.387 54.840 0.001 0.000 1.019 500 L CB -0.815 41.162 42.059 -0.136 0.000 1.352 500 L HN 0.310 nan 8.230 nan 0.000 0.420 501 E N 0.546 120.757 120.200 0.018 0.000 2.208 501 E HA -0.014 4.336 4.350 -0.000 0.000 0.193 501 E C 0.319 176.931 176.600 0.020 0.000 0.988 501 E CA 0.653 57.067 56.400 0.023 0.000 0.828 501 E CB 0.305 30.017 29.700 0.021 0.000 0.763 501 E HN 0.563 nan 8.360 nan 0.000 0.478 502 T N 0.028 114.582 114.554 -0.000 0.000 2.868 502 T HA 0.117 4.467 4.350 -0.000 0.000 0.306 502 T C -1.796 172.881 174.700 -0.039 0.000 1.224 502 T CA -1.003 61.096 62.100 -0.003 0.000 1.012 502 T CB 1.393 70.261 68.868 0.000 0.000 1.221 502 T HN -0.225 nan 8.240 nan 0.000 0.499 503 D N 2.759 123.133 120.400 -0.043 0.000 2.493 503 D HA 0.321 4.961 4.640 -0.000 0.000 0.240 503 D C 0.570 176.827 176.300 -0.071 0.000 1.142 503 D CA 0.625 54.579 54.000 -0.078 0.000 0.872 503 D CB 0.365 41.126 40.800 -0.065 0.000 1.173 503 D HN 0.647 nan 8.370 nan 0.000 0.467 504 R N 0.657 121.101 120.500 -0.093 0.000 2.734 504 R HA 0.657 4.996 4.340 -0.000 0.000 0.271 504 R C -3.111 173.149 176.300 -0.066 0.000 1.021 504 R CA -1.731 54.330 56.100 -0.064 0.000 0.893 504 R CB 0.309 30.580 30.300 -0.048 0.000 1.244 504 R HN -0.006 nan 8.270 nan 0.000 0.464 505 P HA 0.154 nan 4.420 nan 0.000 0.267 505 P C -0.341 176.948 177.300 -0.019 0.000 1.205 505 P CA -0.268 62.815 63.100 -0.029 0.000 0.765 505 P CB 0.606 32.297 31.700 -0.015 0.000 0.828 506 L N 1.637 122.849 121.223 -0.017 0.000 2.731 506 L HA 0.186 4.526 4.340 -0.000 0.000 0.240 506 L C 2.255 179.139 176.870 0.023 0.000 1.120 506 L CA 0.316 55.161 54.840 0.007 0.000 0.913 506 L CB -0.207 41.852 42.059 0.001 0.000 1.213 506 L HN 0.529 nan 8.230 nan 0.000 0.515 507 G N 0.070 108.879 108.800 0.014 0.000 2.476 507 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 507 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 507 G C 1.414 176.329 174.900 0.024 0.000 1.164 507 G CA 0.673 45.782 45.100 0.016 0.000 0.768 507 G HN 0.352 nan 8.290 nan 0.000 0.560 508 Q N -0.192 119.628 119.800 0.033 0.000 2.079 508 Q HA -0.064 4.276 4.340 -0.000 0.000 0.200 508 Q C 2.558 178.608 176.000 0.083 0.000 0.974 508 Q CA 1.286 57.117 55.803 0.047 0.000 0.840 508 Q CB -0.079 28.684 28.738 0.042 0.000 0.898 508 Q HN 0.613 nan 8.270 nan 0.000 0.430 509 E N 0.404 120.672 120.200 0.113 0.000 2.106 509 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 509 E C 1.916 178.535 176.600 0.031 0.000 0.984 509 E CA 0.800 57.326 56.400 0.210 0.000 0.806 509 E CB -0.018 29.835 29.700 0.254 0.000 0.750 509 E HN 0.342 nan 8.360 nan 0.000 0.458 510 I N 1.045 121.606 120.570 -0.015 0.000 2.179 510 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 510 I C 2.535 178.618 176.117 -0.056 0.000 1.088 510 I CA 1.053 62.310 61.300 -0.070 0.000 1.357 510 I CB -0.303 37.681 38.000 -0.027 0.000 1.051 510 I HN 0.097 nan 8.210 nan 0.000 0.409 511 A N 0.634 123.449 122.820 -0.007 0.000 1.902 511 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 511 A C 2.519 180.113 177.584 0.017 0.000 1.181 511 A CA 1.870 53.908 52.037 0.002 0.000 0.623 511 A CB -0.824 18.186 19.000 0.017 0.000 0.818 511 A HN 0.444 nan 8.150 nan 0.000 0.443 512 A N -0.690 122.167 122.820 0.062 0.000 1.898 512 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 512 A C 2.110 179.769 177.584 0.125 0.000 1.181 512 A CA 1.686 53.795 52.037 0.120 0.000 0.620 512 A CB -0.550 18.576 19.000 0.210 0.000 0.819 512 A HN 0.626 nan 8.150 nan 0.000 0.442 513 L N -0.258 120.976 121.223 0.017 0.000 2.093 513 L HA 0.023 4.363 4.340 -0.000 0.000 0.208 513 L C 2.656 179.437 176.870 -0.149 0.000 1.085 513 L CA 1.967 56.722 54.840 -0.143 0.000 0.755 513 L CB -0.892 40.822 42.059 -0.574 0.000 0.904 513 L HN 0.342 nan 8.230 nan 0.000 0.435 514 A N -1.427 121.304 122.820 -0.148 0.000 1.908 514 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 514 A C 2.264 179.785 177.584 -0.105 0.000 1.181 514 A CA 2.433 54.376 52.037 -0.156 0.000 0.627 514 A CB -1.267 17.673 19.000 -0.099 0.000 0.818 514 A HN 0.504 nan 8.150 nan 0.000 0.445 515 T N -1.418 113.118 114.554 -0.030 0.000 2.759 515 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 515 T C 1.853 176.555 174.700 0.005 0.000 1.042 515 T CA 1.954 64.056 62.100 0.004 0.000 1.140 515 T CB -0.408 68.483 68.868 0.038 0.000 0.864 515 T HN 0.814 nan 8.240 nan 0.000 0.455 516 H N 1.072 120.099 119.070 -0.073 0.000 2.357 516 H HA 0.116 4.672 4.556 -0.000 0.000 0.301 516 H C 1.998 177.245 175.328 -0.135 0.000 1.082 516 H CA 1.167 57.175 56.048 -0.066 0.000 1.342 516 H CB -0.465 29.283 29.762 -0.023 0.000 1.389 516 H HN 0.242 nan 8.280 nan 0.000 0.511 517 L N -0.034 120.985 121.223 -0.341 0.000 2.131 517 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 517 L C 2.211 178.912 176.870 -0.282 0.000 1.092 517 L CA 0.959 55.455 54.840 -0.573 0.000 0.759 517 L CB -0.473 41.061 42.059 -0.874 0.000 0.903 517 L HN 0.333 nan 8.230 nan 0.000 0.435 518 L N -0.832 120.273 121.223 -0.197 0.000 2.376 518 L HA -0.142 4.198 4.340 -0.000 0.000 0.219 518 L C 2.182 179.022 176.870 -0.049 0.000 1.133 518 L CA 0.913 55.710 54.840 -0.073 0.000 0.816 518 L CB -0.202 41.846 42.059 -0.018 0.000 0.933 518 L HN 0.357 nan 8.230 nan 0.000 0.449 519 Q N -1.441 118.234 119.800 -0.209 0.000 2.316 519 Q HA 0.199 4.539 4.340 -0.000 0.000 0.235 519 Q C -0.087 175.498 176.000 -0.691 0.000 0.863 519 Q CA 0.085 55.731 55.803 -0.261 0.000 0.939 519 Q CB 1.037 29.724 28.738 -0.083 0.000 1.108 519 Q HN 0.442 nan 8.270 nan 0.000 0.522 520 Q N -0.178 119.177 119.800 -0.741 0.000 2.379 520 Q HA 0.478 4.818 4.340 -0.000 0.000 0.278 520 Q C -1.243 174.654 176.000 -0.171 0.000 1.068 520 Q CA -0.436 55.015 55.803 -0.587 0.000 0.816 520 Q CB 2.647 31.148 28.738 -0.396 0.000 1.387 520 Q HN -0.079 nan 8.270 nan 0.000 0.413 521 S N 2.074 117.754 115.700 -0.034 0.000 2.687 521 S HA 0.555 5.025 4.470 -0.000 0.000 0.283 521 S C -2.378 172.048 174.600 -0.290 0.000 1.170 521 S CA -1.146 56.997 58.200 -0.095 0.000 1.008 521 S CB 0.882 64.069 63.200 -0.022 0.000 1.026 521 S HN 0.423 nan 8.310 nan 0.000 0.541 522 P HA 0.284 nan 4.420 nan 0.000 0.280 522 P C -0.723 176.388 177.300 -0.315 0.000 1.386 522 P CA -0.191 62.536 63.100 -0.622 0.000 0.899 522 P CB 0.150 31.153 31.700 -1.163 0.000 1.098 523 V N 0.000 119.822 119.914 -0.153 0.000 2.409 523 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 523 V CA 0.000 62.243 62.300 -0.095 0.000 1.235 523 V CB 0.000 31.782 31.823 -0.067 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556